AA-115

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

MedKoo CAT#: 206805

CAS#: 1818393-16-6

Description: AA-115, also known as APG-115, is a highly potent, chemically stable and efficacious MDM2 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.


Price and Availability

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AA-115 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 206805
Name: AA-115
CAS#: 1818393-16-6
Chemical Formula: C34H38Cl2FN3O4
Exact Mass: 641.2223
Molecular Weight: 642.5934
Elemental Analysis: C, 63.55; H, 5.96; Cl, 11.03; F, 2.96; N, 6.54; O, 9.96


Synonym: AA-115; AA 115; AA115; APG 115; APG115; APG-115.

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


Technical Data

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).

Harmonized System Code:
293490


References

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