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Merck
CN

SML3720

Sigma-Aldrich

PHA-793887

≥98% (HPLC)

Synonym(s):

N-{6,6-Dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide, PHA 793887, PHA793887

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About This Item

Empirical Formula (Hill Notation):
C19H31N5O2
CAS Number:
718630-59-2
Molecular Weight:
361.48
MDL number:
MFCD17169992
UNSPSC Code:
12352200
NACRES:
NA.21

Key Documents

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

N1(CCC(CC1)C(=O)N2C(c3n[nH]c(c3C2)NC(=O)CC(C)C)(C)C)C

InChI

1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)

InChI key

HUXYBQXJVXOMKX-UHFFFAOYSA-N

Related Categories

Biochem/physiol Actions

Highly potent and selective pan-CDK inhibitor with anti-cancer efficacy in cultures and in vivo.
PHA-793887 is a highly potent and selective pan-CDK inhibitor (CDK1/2//4/5/7/9 IC50 5-140 nM; IC50 >10 μM against 34 other kinases) with anti-proliferative activity against several solid tumor cell lines (IC50 <1 μM) by blocking Rb phosphorylation and the expression of S-phase cyclins, such as cyclin A. PHA-793887 exhibits in vivo anti-leukemia efficacy in murine xenograft models (20 mg/kg via daily i.v.; HL60, K562, ALL-2 or AML-PS).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000264777
0000264779
0000256185
0000256185
0000264779

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Selected using bioinformatics and molecular docking analyses, PHA-793887 is effective against osteosarcoma
Wu B, Yang W, Fu Z, Xie H, Guo Z, Liu D, Ge J, Zhong S, Liu L, Liu J, Zhu D
Aging, 13(12), 16425-16444 (2021)
Maria Gabriella Brasca et al.
Bioorganic & medicinal chemistry, 18(5), 1844-1853 (2010-02-16)
We have recently reported CDK inhibitors based on the 6-substituted pyrrolo[3,4-c]pyrazole core structure. Improvement of inhibitory potency against multiple CDKs, antiproliferative activity against cancer cell lines and optimization of the physico-chemical properties led to the identification of highly potent compounds.
Therapeutic efficacy of the pan-cdk inhibitor PHA-793887 in vitro and in vivo in engraftment and high-burden leukemia models
Experimental Hematology, 38(4):\, 259-269 (2010)

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