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MedKoo Cat#: 562761 | Name: SMBA1
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Description:

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

SMBA1 is a selective acrivator of Bax, a central death regulator. It acts by potently suppressing lung tumour growth via apoptosis. Mechanistically, SMBA1 induced apoptosis via the intrinsic pathway.

Chemical Structure

SMBA1
SMBA1
CAS#906440-37-7

Theoretical Analysis

MedKoo Cat#: 562761

Name: SMBA1

CAS#: 906440-37-7

Chemical Formula: C20H13NO3

Exact Mass: 315.0895

Molecular Weight: 315.32

Elemental Analysis: C, 76.18; H, 4.16; N, 4.44; O, 15.22

Price and Availability

Size Price Availability Quantity
5mg USD 400.00
25mg USD 800.00
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Related CAS #
No Data
Synonym
SMBA1; SMBA-1; SMBA 1; NSC-408730; NSC408730; NSC 408730; CYD-1-94; CYD 1 94; CYD194;
IUPAC/Chemical Name
2-[(2-Nitrofluoren-9-ylidene)methyl]phenol
InChi Key
PEYKRJBXACUOOB-WQRHYEAKSA-N
InChi Code
InChI=1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11-
SMILES Code
OC1=CC=CC=C1/C=C2C3=C(C4=C\2C=CC=C4)C=CC([N+]([O-])=O)=C3
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 and ethanol
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
Product Data
Product Data
Certificate of Analysis
View CoA: current batch, Lot#M22P11S02
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Biological target:
SMBA1 is a potent Bax agonist with a Ki value of 43.3 nM. SMBA1 enhances the Bax expression and shows anti-tumor activity.
In vitro activity:
Bax, a key regulator of cell death, plays a crucial role in apoptosis and developing Bax agonists is a promising treatment for treating Bax-expressing cancers, including lung cancer. SMBA1, SMBA2, and SMBA3 induced changes in Bax, promoting its insertion into mitochondrial membranes and triggering apoptosis in lung cancer cells. SMBA1, in particular, effectively inhibited lung tumor growth without harming normal tissues. Reference: Nat Commun. 2014 Sep 17;5:4935. https://pubmed.ncbi.nlm.nih.gov/25230299/
In vivo activity:
SMBA1 shows anti-proliferative effects against malignant glioma cells through activation of the intrinsic apoptosis pathway. SMBA1 inhibited the growth of U87MG xenograft tumours in vivo. Reference: Pharmacology. 2020;105(3-4):164-172. https://pubmed.ncbi.nlm.nih.gov/31865327/
Solvent mg/mL mM comments
Solubility
DMSO 31.5 100.00
Ethanol 3.2 10.00
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 315.32 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. Xin M, Li R, Xie M, Park D, Owonikoko TK, Sica GL, Corsino PE, Zhou J, Ding C, White MA, Magis AT, Ramalingam SS, Curran WJ, Khuri FR, Deng X. Small-molecule Bax agonists for cancer therapy. Nat Commun. 2014 Sep 17;5:4935. doi: 10.1038/ncomms5935. PMID: 25230299; PMCID: PMC4172359. 2. Liu G, Yin T, Kim H, Ding C, Yu Z, Wang H, Chen H, Yan R, Wold EA, Zou H, Liu X, Ding Y, Shen Q, Zhou J. Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer. Eur J Med Chem. 2019 Sep 15;178:589-605. doi: 10.1016/j.ejmech.2019.06.004. Epub 2019 Jun 8. PMID: 31220676. 3. Fan S, Xu Q, Wang L, Wan Y, Qiu S. SMBA1, a Bax Activator, Induces Cell Cycle Arrest and Apoptosis in Malignant Glioma Cells. Pharmacology. 2020;105(3-4):164-172. doi: 10.1159/000500292. Epub 2019 Dec 19. PMID: 31865327.
In vitro protocol:
1. Xin M, Li R, Xie M, Park D, Owonikoko TK, Sica GL, Corsino PE, Zhou J, Ding C, White MA, Magis AT, Ramalingam SS, Curran WJ, Khuri FR, Deng X. Small-molecule Bax agonists for cancer therapy. Nat Commun. 2014 Sep 17;5:4935. doi: 10.1038/ncomms5935. PMID: 25230299; PMCID: PMC4172359. 2. Liu G, Yin T, Kim H, Ding C, Yu Z, Wang H, Chen H, Yan R, Wold EA, Zou H, Liu X, Ding Y, Shen Q, Zhou J. Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer. Eur J Med Chem. 2019 Sep 15;178:589-605. doi: 10.1016/j.ejmech.2019.06.004. Epub 2019 Jun 8. PMID: 31220676.
In vivo protocol:
1. Fan S, Xu Q, Wang L, Wan Y, Qiu S. SMBA1, a Bax Activator, Induces Cell Cycle Arrest and Apoptosis in Malignant Glioma Cells. Pharmacology. 2020;105(3-4):164-172. doi: 10.1159/000500292. Epub 2019 Dec 19. PMID: 31865327.
1: Levesley J, Steele L, Brüning-Richardson A, Davison A, Zhou J, Ding C, Lawler S, Short SC. Selective BCL-XL inhibition promotes apoptosis in combination with MLN8237 in medulloblastoma and pediatric glioblastoma cells. Neuro Oncol. 2018 Jan 22;20(2):203-214. doi: 10.1093/neuonc/nox134. PubMed PMID: 29016820. 2: Li R, Ding C, Zhang J, Xie M, Park D, Ding Y, Chen G, Zhang G, Gilbert-Ross M, Zhou W, Marcus AI, Sun SY, Chen ZG, Sica GL, Ramalingam SS, Magis AT, Fu H, Khuri FR, Curran WJ, Owonikoko TK, Shin DM, Zhou J, Deng X. Modulation of Bax and mTOR for Cancer Therapeutics. Cancer Res. 2017 Jun 1;77(11):3001-3012. doi: 10.1158/0008-5472.CAN-16-2356. Epub 2017 Apr 5. PubMed PMID: 28381544; PubMed Central PMCID: PMC5503158. 3: Daniele S, Pietrobono D, Costa B, Giustiniano M, La Pietra V, Giacomelli C, La Regina G, Silvestri R, Taliani S, Trincavelli ML, Da Settimo F, Novellino E, Martini C, Marinelli L. Bax Activation Blocks Self-Renewal and Induces Apoptosis of Human Glioblastoma Stem Cells. ACS Chem Neurosci. 2018 Jan 17;9(1):85-99. doi: 10.1021/acschemneuro.7b00023. Epub 2017 Apr 11. PubMed PMID: 28368610. 4: Xin M, Li R, Xie M, Park D, Owonikoko TK, Sica GL, Corsino PE, Zhou J, Ding C, White MA, Magis AT, Ramalingam SS, Curran WJ, Khuri FR, Deng X. Small-molecule Bax agonists for cancer therapy. Nat Commun. 2014 Sep 17;5:4935. doi: 10.1038/ncomms5935. PubMed PMID: 25230299; PubMed Central PMCID: PMC4172359.

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