(S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide

CAS 1004990-28-6 MFCD11846250

化学结构图

1004990-28-6
SMILES: CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12

化学属性

Mol. FormulaC20H22F2N6O
Mol. Weight400.43
Appearance Solid powder
Solubilitysoluble in DMSO

别名和识别编码

Chemical Name(S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide
Chemical Name Translation
FormulaC20H22F2N6O
Synonym PF-AKT400; PFAKT400; Lig1; Lig-1; Lig 1; PF AKT400; AKT-0286; AKT 0286; AKT0286; ZINC-111606147; ZINC 111606147; ZINC111606147
IUPAC Name(S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide.
InChIKeyMOZRQQTUYAYCQT-FQEVSTJZSA-N
InChIInChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
Canonical SMILESO=C(NC[C@]1(N)CN(C2=C3C(NC=C3CC)=NC=N2)CC1)C4=CC=C(F)C=C4F
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产品应用

  • AKT-0286, also known as Lig1, is an APT competitor inhibitor of AKR kinase. AKT-0286 was first described as compound 42 in J. Med. Chem. 2010, 53, 4615–4622 by a group of Pfizer scientists. AKT-0286 has no official name, has molecule weight 400.43, CAS#1004990-28-6. We temporally call this compound as AKT-0286. 0286 is the last four digit of its CAS#.

安全信息

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类


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