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MedKoo Cat#: 206805 | Name: AA-115

Description:

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

AA-115, also known as APG-115, is a highly potent, chemically stable and efficacious E3 ubiquitin-protein ligase Mdm2 (Hdm2) inhibitor, which has entered clinical development for cancer treatment. AA-115 has a very high affinity to MDM2 (Ki < 1 nM), potent cellular activity, and an excellent oral pharmacokinetic profile. Compound 60 is capable of achieving complete and longlasting tumor regression in vivo and is currently in phase I clinical trials for cancer treatment.

Chemical Structure

AA-115
AA-115
CAS#1818393-16-6

Theoretical Analysis

MedKoo Cat#: 206805

Name: AA-115

CAS#: 1818393-16-6

Chemical Formula: C34H38Cl2FN3O4

Exact Mass: 641.2223

Molecular Weight: 642.59

Elemental Analysis: C, 63.55; H, 5.96; Cl, 11.03; F, 2.96; N, 6.54; O, 9.96

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
AA-115; AA 115; AA115; APG 115; APG115; APG-115; Alrizomadlin
IUPAC/Chemical Name
4-((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acid
InChi Key
YJCZPJQGFSSFOL-MNZPCBJKSA-N
InChi Code
InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
SMILES Code
O=C1NC2=CC(Cl)=CC=C2[C@]13C4(CCCCC4)N(CC)[C@@H](C(NC5(CC6)CCC6(C(O)=O)CC5)=O)[C@@H]3C7=C(F)C(Cl)=CC=C7
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 642.59 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
Discovery of 4-((3′R,4′S,5′R)-6″-Chloro-4′-(3-chloro-2-fluorophenyl)-1′-ethyl-2″-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3″-indoline]-5′-carboxamido)bicyclo[2.2.2]octane-1-carboxylic Acid (AA-115/APG-115): A Potent and Orally Active Murine Double Minute 2 (MDM2) Inhibitor in Clinical Development Angelo AguilarJianfeng LuLiu LiuDing DuDenzil BernardDonna McEachernSally PrzybranowskiXiaoqin LiRuijuan LuoBo WenDuxin SunHengbang WangJianfeng WenGuangfeng WangYifan ZhaiMing GuoDajun YangShaomeng Wang Publication Date (Web): March 24, 2017 (Article) DOI: 10.1021/acs.jmedchem.6b01665