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MedKoo Cat#: 564955 | Name: SHIN1
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

SHIN1, also known as RZ-2994, is a potent dual inhibitor of human serine hydroxymethyltransferase 1/2 (SHMT1/2). SHIN1 can upregulate CRBN by elevating BRCC36.

Chemical Structure

SHIN1
CAS#2146095-85-2

Theoretical Analysis

MedKoo Cat#: 564955

Name: SHIN1

CAS#: 2146095-85-2

Chemical Formula: C24H24N4O2

Exact Mass: 400.1899

Molecular Weight: 400.48

Elemental Analysis: C, 71.98; H, 6.04; N, 13.99; O, 7.99

Price and Availability

Size Price Availability Quantity
25mg USD 550.00 2 Weeks
50mg USD 950.00 2 Weeks
100mg USD 1,650.00 2 Weeks
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Related CAS #
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Synonym
SHIN1; SHIN-1; SHIN 1; Serine hydroxymethyltranferase inhibitor 1
IUPAC/Chemical Name
6-amino-4-(5-(hydroxymethyl)-[1,1'-biphenyl]-3-yl)-4-isopropyl-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
InChi Key
VVVOFJZXKJKHTD-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)
SMILES Code
N#CC(C1(C2=CC(C3=CC=CC=C3)=CC(CO)=C2)C(C)C)=C(N)OC4=C1C(C)=NN4
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Certificate of Analysis
View CoA: current batch, Lot# A9O11B13
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Biological target:
SHIN1 is a SHMT 1 and 2 inhibitor with IC50s of 5 and 13 nM, respectively, in an in vitro assay.
In vitro activity:
Treatment of bladder cancer cells with SHIN1 resulted in a significant inhibitory effect on cell proliferation and induced cell apoptosis by disrupting redox homeostasis. Reference: Cancer Gene Ther. 2022 Oct;29(10):1514-1527. https://pubmed.ncbi.nlm.nih.gov/35422087/
In vivo activity:
This study presents SHMT as an antibacterial target and that SHMT inhibitors, such as SHIN1, could be used in treatments for bacterial, viral and parasitic infections and cancer treatments. (+)-SHIN1 bacteriostatically inhibited the growth of Enterococcus faecium at an IC50 of 10-11 M and synergistically enhanced the antibacterial activities of several nucleoside analogues. Reference: Commun Biol. 2022 Jun 23;5(1):619. https://pubmed.ncbi.nlm.nih.gov/35739195/
Solvent mg/mL mM comments
Solubility
DMSO 66.7 166.48
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 400.48 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. He L, Endress J, Cho S, Li Z, Zheng Y, Asara JM, Blenis J. Suppression of nuclear GSK3 signaling promotes serine/one-carbon metabolism and confers metabolic vulnerability in lung cancer cells. Sci Adv. 2022 May 20;8(20):eabm8786. doi: 10.1126/sciadv.abm8786. Epub 2022 May 20. PMID: 35594343; PMCID: PMC9122323. 2. Zhang Y, Liu Z, Wang X, Jian H, Xiao H, Wen T. SHMT2 promotes cell viability and inhibits ROS-dependent, mitochondrial-mediated apoptosis via the intrinsic signaling pathway in bladder cancer cells. Cancer Gene Ther. 2022 Oct;29(10):1514-1527. doi: 10.1038/s41417-022-00470-5. Epub 2022 Apr 14. PMID: 35422087. 3. Makino Y, Oe C, Iwama K, Suzuki S, Nishiyama A, Hasegawa K, Okuda H, Hirata K, Ueno M, Kawaji K, Sasano M, Usui E, Hosaka T, Yabuki Y, Shirouzu M, Katsumi M, Murayama K, Hayashi H, Kodama EN. Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors. Commun Biol. 2022 Jun 23;5(1):619. doi: 10.1038/s42003-022-03555-x. PMID: 35739195; PMCID: PMC9223267. 4. Batool N, Ko KS, Chaurasia AK, Kim KK. Functional Identification of Serine Hydroxymethyltransferase as a Key Gene Involved in Lysostaphin Resistance and Virulence Potential of Staphylococcus aureus Strains. Int J Mol Sci. 2020 Nov 30;21(23):9135. doi: 10.3390/ijms21239135. PMID: 33266291; PMCID: PMC7731198.
In vitro protocol:
1. He L, Endress J, Cho S, Li Z, Zheng Y, Asara JM, Blenis J. Suppression of nuclear GSK3 signaling promotes serine/one-carbon metabolism and confers metabolic vulnerability in lung cancer cells. Sci Adv. 2022 May 20;8(20):eabm8786. doi: 10.1126/sciadv.abm8786. Epub 2022 May 20. PMID: 35594343; PMCID: PMC9122323. 2. Zhang Y, Liu Z, Wang X, Jian H, Xiao H, Wen T. SHMT2 promotes cell viability and inhibits ROS-dependent, mitochondrial-mediated apoptosis via the intrinsic signaling pathway in bladder cancer cells. Cancer Gene Ther. 2022 Oct;29(10):1514-1527. doi: 10.1038/s41417-022-00470-5. Epub 2022 Apr 14. PMID: 35422087.
In vivo protocol:
1. Makino Y, Oe C, Iwama K, Suzuki S, Nishiyama A, Hasegawa K, Okuda H, Hirata K, Ueno M, Kawaji K, Sasano M, Usui E, Hosaka T, Yabuki Y, Shirouzu M, Katsumi M, Murayama K, Hayashi H, Kodama EN. Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors. Commun Biol. 2022 Jun 23;5(1):619. doi: 10.1038/s42003-022-03555-x. PMID: 35739195; PMCID: PMC9223267. 2. Batool N, Ko KS, Chaurasia AK, Kim KK. Functional Identification of Serine Hydroxymethyltransferase as a Key Gene Involved in Lysostaphin Resistance and Virulence Potential of Staphylococcus aureus Strains. Int J Mol Sci. 2020 Nov 30;21(23):9135. doi: 10.3390/ijms21239135. PMID: 33266291; PMCID: PMC7731198.
1: Wang B, Li M, Cao D, Sun Q, Yu W, Ma J, Ren H, Xu G, Zhou L. Lys-63-specific deubiquitinase BRCC36 enhances the sensitivity of multiple myeloma cells to lenalidomide by inhibiting lysosomal degradation of cereblon. Cell Mol Life Sci. 2024 Aug 13;81(1):349. doi: 10.1007/s00018-024-05390-1. PMID: 39136771; PMCID: PMC11335271. 2: Shin S, Pirkis J, Spittal MJ, Too LS, Clapperton A. Change in incidents of suicidal acts after intervention on a bridge in South Korea. Soc Psychiatry Psychiatr Epidemiol. 2024 Aug 9. doi: 10.1007/s00127-024-02744-9. Epub ahead of print. PMID: 39120715. 3: O'Connor C, Schneider M, Katinas JM, Nayeen MJ, Shah K, Magdum T, Sharma A, Kim S, Bao X, Li J, Dann CE, Gangjee A, Matherly LH, Hou Z. Role of Mitochondrial and Cytosolic Folylpolyglutamate Synthetase in One-Carbon Metabolism and Antitumor Efficacy of Mitochondrial-Targeted Antifolates. Mol Pharmacol. 2024 Sep 17;106(4):173-187. doi: 10.1124/molpharm.124.000912. PMID: 39048308; PMCID: PMC11413923. 4: Liufu T, Zhao X, Yu M, Xie Z, Meng L, Lv H, Zhang W, Yuan Y, Xing G, Deng J, Wang Z. Multiomics analysis reveals serine catabolism as a potential therapeutic target for MELAS. FASEB J. 2024 Jun 30;38(12):e23742. doi: 10.1096/fj.202302286RRR. PMID: 38865203. 5: Han T, Wang Y, Cheng M, Hu Q, Wan X, Huang M, Liu Y, Xun W, Xu J, Wang L, Luo R, Yuan Y, Wang K, Wang J. Phosphorylated SHMT2 Regulates Oncogenesis Through m6A Modification in Lung Adenocarcinoma. Adv Sci (Weinh). 2024 May;11(18):e2307834. doi: 10.1002/advs.202307834. Epub 2024 Mar 9. PMID: 38460155; PMCID: PMC11095143. 6: Maynard AG, Pohl NK, Mueller AP, Petrova B, Wong AYL, Wang P, Culhane AJ, Brook JR, Hirsch LM, Hoang N, Kirkland O, Braun T, Ducamp S, Fleming MD, Li H, Kanarek N. Folate depletion induces erythroid differentiation through perturbation of de novo purine synthesis. Sci Adv. 2024 Feb 2;10(5):eadj9479. doi: 10.1126/sciadv.adj9479. Epub 2024 Jan 31. PMID: 38295180; PMCID: PMC10830111. 7: Makino Y, Oe C, Iwama K, Suzuki S, Nishiyama A, Hasegawa K, Okuda H, Hirata K, Ueno M, Kawaji K, Sasano M, Usui E, Hosaka T, Yabuki Y, Shirouzu M, Katsumi M, Murayama K, Hayashi H, Kodama EN. Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors. Commun Biol. 2022 Jun 23;5(1):619. doi: 10.1038/s42003-022-03555-x. PMID: 35739195; PMCID: PMC9223267. 8: He L, Endress J, Cho S, Li Z, Zheng Y, Asara JM, Blenis J. Suppression of nuclear GSK3 signaling promotes serine/one-carbon metabolism and confers metabolic vulnerability in lung cancer cells. Sci Adv. 2022 May 20;8(20):eabm8786. doi: 10.1126/sciadv.abm8786. Epub 2022 May 20. PMID: 35594343; PMCID: PMC9122323. 9: Zhang Y, Liu Z, Wang X, Jian H, Xiao H, Wen T. SHMT2 promotes cell viability and inhibits ROS-dependent, mitochondrial-mediated apoptosis via the intrinsic signaling pathway in bladder cancer cells. Cancer Gene Ther. 2022 Oct;29(10):1514-1527. doi: 10.1038/s41417-022-00470-5. Epub 2022 Apr 14. PMID: 35422087. 10: Mizuno S, Kitayama C, Mashiko S, Sanada S. Renal recovery following daratumumab, lenalidomide, and dexamethasone therapy in a patient with newly diagnosed dialysis-dependent multiple myeloma. CEN Case Rep. 2022 May;11(2):265-268. doi: 10.1007/s13730-021-00668-w. Epub 2021 Nov 24. PMID: 34817845; PMCID: PMC9061908. 11: Nguyen TH, Vemu PL, Hoy GE, Boudjadi S, Chatterjee B, Shern JF, Khan J, Sun W, Barr FG. Serine hydroxymethyltransferase 2 expression promotes tumorigenesis in rhabdomyosarcoma with 12q13-q14 amplification. J Clin Invest. 2021 Aug 2;131(15):e138022. doi: 10.1172/JCI138022. PMID: 34166228; PMCID: PMC8321571. 12: Batool N, Ko KS, Chaurasia AK, Kim KK. Functional Identification of Serine Hydroxymethyltransferase as a Key Gene Involved in Lysostaphin Resistance and Virulence Potential of Staphylococcus aureus Strains. Int J Mol Sci. 2020 Nov 30;21(23):9135. doi: 10.3390/ijms21239135. PMID: 33266291; PMCID: PMC7731198. 13: Mizuno S, Kosukegawa H. Amyloid cast nephropathy with systemic AL amyloidosis. Int J Hematol. 2021 Jan;113(1):1-2. doi: 10.1007/s12185-020-03036-z. Epub 2020 Nov 22. PMID: 33222047. 14: Takeuchi S, Udagawa Y, Oku Y, Fujii T, Nishimura H, Kawashima N. Basic study on apoptosis induction into cancer cells U-937 and EL-4 by ultrasound exposure. Ultrasonics. 2006 Dec 22;44 Suppl 1:e345-8. doi: 10.1016/j.ultras.2006.07.007. Epub 2006 Aug 1. PMID: 16949118. 15: Ninomiya S, Yokoyama Y, Kawakami M, Une T, Maruyama H, Morishima T. Unique maternal deletion of 15q in a patient with some symptoms of Prader-Willi syndrome. Pediatr Int. 2005 Oct;47(5):541-5. doi: 10.1111/j.1442-200x.2005.02116.x. PMID: 16190961. 16: Ninomiya S, Yokoyama Y, Teraoka M, Mori R, Inoue C, Yamashita S, Tamai H, Funato M, Seino Y. A novel mutation (296 del G) of the SOX90 gene in a patient with campomelic syndrome and sex reversal. Clin Genet. 2000 Sep;58(3):224-7. doi: 10.1034/j.1399-0004.2000.580310.x. PMID: 11076045.