WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 401685
CAS#: 1004990-28-6
Description: 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#.
MedKoo Cat#: 401685
Name: AKT-0286
CAS#: 1004990-28-6
Chemical Formula: C20H22F2N6O
Exact Mass: 400.18232
Molecular Weight: 400.43
Elemental Analysis: C, 59.99; H, 5.54; F, 9.49; N, 20.99; O, 4.00
This product is not in stock, which may be available by custom synthesis.
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Synonym: PF-AKT400; PFAKT400; Lig1; Lig-1; Lig 1; PF AKT400; AKT-0286; AKT 0286; AKT0286; ZINC-111606147; ZINC 111606147; ZINC111606147
IUPAC/Chemical Name: (S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide.
InChi Key: MOZRQQTUYAYCQT-FQEVSTJZSA-N
InChi Code: InChI=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
SMILES Code: O=C(NC[C@]1(N)CN(C2=C3C(NC=C3CC)=NC=N2)CC1)C4=CC=C(F)C=C4F
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: >5 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
The following data is based on the product molecular weight 400.43 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.
| 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: Freeman-Cook KD, Autry C, Borzillo G, Gordon D, Barbacci-Tobin E, Bernardo V, Briere D, Clark T, Corbett M, Jakubczak J, Kakar S, Knauth E, Lippa B, Luzzio MJ, Mansour M, Martinelli G, Marx M, Nelson K, Pandit J, Rajamohan F, Robinson S, Subramanyam C, Wei L, Wythes M, Morris J. Design of selective, ATP-competitive inhibitors of Akt. J Med Chem. 2010 Jun 24;53(12):4615-22. Erratum in: J Med Chem. 2010 Aug 12;53(15):5895. PubMed PMID: 20481595.
