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MedKoo Cat#: 562176 | Name: KDM5A-IN-1

Description:

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

KDM5A-IN-1 is a potent and seletive inhibitor of KDM5A.

Chemical Structure

KDM5A-IN-1
KDM5A-IN-1
CAS#1905481-36-8

Theoretical Analysis

MedKoo Cat#: 562176

Name: KDM5A-IN-1

CAS#: 1905481-36-8

Chemical Formula: C21H28Cl2N4O

Exact Mass:

Molecular Weight: 423.38

Elemental Analysis: C, 59.58; H, 6.67; Cl, 16.75; N, 13.23; O, 3.78

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
KDM5A-IN-1; KDM5A IN 1; KDM5AIN1; KDM5A inhibitor-1; KDM5A inhibitor 1;
IUPAC/Chemical Name
N-[(3R)-1-[[5-(1-Methylethyl)-1H-pyrazol-3-yl]carbonyl]-3-pyrrolidinyl]-cyclopropanecarboxamide
InChi Key
CXEXTVGTDZRKJS-LLVKDONJSA-N
InChi Code
InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1
SMILES Code
O=C(C1CC1)N[C@H]2CN(C(C3=NNC(C(C)C)=C3)=O)CC2
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
>2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 423.38 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
1: Liang J, Labadie S, Zhang B, Ortwine DF, Patel S, Vinogradova M, Kiefer JR, Mauer T, Gehling VS, Harmange JC, Cummings R, Lai T, Liao J, Zheng X, Liu Y, Gustafson A, Van der Porten E, Mao W, Liederer BM, Deshmukh G, An L, Ran Y, Classon M, Trojer P, Dragovich PS, Murray L. From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg Med Chem Lett. 2017 Jul 1;27(13):2974-2981. doi: 10.1016/j.bmcl.2017.05.016. Epub 2017 May 5. PubMed PMID: 28512031. 2: Gale M, Sayegh J, Cao J, Norcia M, Gareiss P, Hoyer D, Merkel JS, Yan Q. Screen-identified selective inhibitor of lysine demethylase 5A blocks cancer cell growth and drug resistance. Oncotarget. 2016 Jun 28;7(26):39931-39944. doi: 10.18632/oncotarget.9539. PubMed PMID: 27224921; PubMed Central PMCID: PMC5129982. 3: Wang C, Wang J, Li J, Hu G, Shan S, Li Q, Zhang X. KDM5A controls bone morphogenic protein 2-induced osteogenic differentiation of bone mesenchymal stem cells during osteoporosis. Cell Death Dis. 2016 Aug 11;7(8):e2335. doi: 10.1038/cddis.2016.238. PubMed PMID: 27512956; PubMed Central PMCID: PMC5108323. 4: Gehling VS, Bellon SF, Harmange JC, LeBlanc Y, Poy F, Odate S, Buker S, Lan F, Arora S, Williamson KE, Sandy P, Cummings RT, Bailey CM, Bergeron L, Mao W, Gustafson A, Liu Y, VanderPorten E, Audia JE, Trojer P, Albrecht BK. Identification of potent, selective KDM5 inhibitors. Bioorg Med Chem Lett. 2016 Sep 1;26(17):4350-4. doi: 10.1016/j.bmcl.2016.07.026. Epub 2016 Jul 19. PubMed PMID: 27476424. 5: Horton JR, Engstrom A, Zoeller EL, Liu X, Shanks JR, Zhang X, Johns MA, Vertino PM, Fu H, Cheng X. Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases. J Biol Chem. 2016 Feb 5;291(6):2631-46. doi: 10.1074/jbc.M115.698449. Epub 2015 Dec 8. PubMed PMID: 26645689; PubMed Central PMCID: PMC4742734. 6: Ahmed S, Palermo C, Wan S, Walworth NC. A novel protein with similarities to Rb binding protein 2 compensates for loss of Chk1 function and affects histone modification in fission yeast. Mol Cell Biol. 2004 May;24(9):3660-9. PubMed PMID: 15082762; PubMed Central PMCID: PMC387755.