MedKoo Cat#: 407854 | Name: AG311

Description:

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

AG311 is a small molecule inhibitor of complex I and hypoxia-induced HIF-1α stabilization. In vitro, AG311 induces rapid necrosis in numerous cancer cell lines. Within minutes, exposure to AG311 also results in mitochondrial depolarization, superoxide production, and increased intracellular calcium levels. AG311 retards tumor growth and reduces lung metastases better than clinically used agents and has no gross or histopathological toxicity. AG311 is a first-in-class antitumor and antimetastatic agent inducing necrosis in breast cancer tumors, likely through the mitochondria.

Chemical Structure

AG311
AG311
CAS#1126602-42-3

Theoretical Analysis

MedKoo Cat#: 407854

Name: AG311

CAS#: 1126602-42-3

Chemical Formula: C17H15N5S

Exact Mass: 321.1048

Molecular Weight: 321.40

Elemental Analysis: C, 63.53; H, 4.70; N, 21.79; S, 9.98

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
AG311; AG-311; AG 311.
IUPAC/Chemical Name
5-[(4-methylphenyl)thio]-9H-pyrimido[4,5-b]indole-2,4-diamine
InChi Key
IMNBYLUXBBXZIY-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
SMILES Code
NC1=NC(N)=C2C(NC3=C2C(SC4=CC=C(C)C=C4)=CC=C3)=N1
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 321.40 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: Bastian A, Matsuzaki S, Humphries KM, Pharaoh GA, Doshi A, Zaware N, Gangjee A, Ihnat MA. AG311, a small molecule inhibitor of complex I and hypoxia-induced HIF-1α stabilization. Cancer Lett. 2017 Mar 1;388:149-157. doi: 10.1016/j.canlet.2016.11.040. Epub 2016 Dec 8. PubMed PMID: 27939695; PubMed Central PMCID: PMC5318233. 2: Bastian A, Thorpe JE, Disch BC, Bailey-Downs LC, Gangjee A, Devambatla RK, Henthorn J, Humphries KM, Vadvalkar SS, Ihnat MA. A small molecule with anticancer and antimetastatic activities induces rapid mitochondrial-associated necrosis in breast cancer. J Pharmacol Exp Ther. 2015 May;353(2):392-404. doi: 10.1124/jpet.114.220335. Epub 2015 Feb 26. Erratum in: J Pharmacol Exp Ther. 2017 Jan;360(1):225. PubMed PMID: 25720766; PubMed Central PMCID: PMC4407723.