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MedKoo Cat#: 565394 | Name: SMBA3

Description:

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

SMBA3, also known as NSC-5062, is a Bax activator, specifically targeting the binding pocket at S184.

Chemical Structure

SMBA3
SMBA3
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 565394

Name: SMBA3

CAS#: NONE

Chemical Formula: C9H17IN4

Exact Mass: 308.0498

Molecular Weight: 308.17

Elemental Analysis: C, 35.08; H, 5.56; I, 41.18; N, 18.18

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 #
No Data
Synonym
NSC-5062; NSC 5062; NSC5062; SMBA-3; SMBA 3; SMBA3
IUPAC/Chemical Name
1-Allyl-1,3,5,7-tetraazaadamantan-1-ium iodide
InChi Key
MWNFHPSPNQSWME-UHFFFAOYSA-M
InChi Code
InChI=1S/C9H17N4.HI/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13;/h2H,1,3-9H2;1H/q+1;/p-1
SMILES Code
C=CC[N+]12CN3CN(C2)CN(C3)C1.[I-]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 308.17 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: 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.