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Home Carbonyls 3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide

3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide

CAS No.:
718630-59-2
Catalog Number:
AG005FCJ
Molecular Formula:
C19H31N5O2
Molecular Weight:
361.4817
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%(HPLC)
In Stock USA
United States
$75
- +
5mg
98%(HPLC)
In Stock USA
United States
$186
- +
10mg
98%(HPLC)
In Stock USA
United States
$269
- +
25mg
98%(HPLC)
In Stock USA
United States
$498
- +
50mg
98%(HPLC)
In Stock USA
United States
$936
- +
Product Description
Catalog Number:
AG005FCJ
Chemical Name:
3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide
CAS Number:
718630-59-2
Molecular Formula:
C19H31N5O2
Molecular Weight:
361.4817
MDL Number:
MFCD17169992
IUPAC Name:
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
InChI:
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
SMILES:
CC(CC(=O)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C1CCN(CC1)C)C
UNII:
MKS45S912B
Properties
Complexity:
542  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.248g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
361.49g/mol
Monoisotopic Mass:
361.248g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
A first in man, phase I dose-escalation study of PHA-793887, an inhibitor of multiple cyclin-dependent kinases (CDK2, 1 and 4) reveals unexpected hepatotoxicity in patients with solid tumors. Cell cycle (Georgetown, Tex.) 20110315
An inhibitor of cyclin-dependent kinases suppresses TLR signaling and increases the susceptibility of cancer patients to herpesviridae. Cell cycle (Georgetown, Tex.) 20110101
Transcriptional analysis of an E2F gene signature as a biomarker of activity of the cyclin-dependent kinase inhibitor PHA-793887 in tumor and skin biopsies from a phase I clinical study. Molecular cancer therapeutics 20100501
Optimization of 6,6-dimethyl pyrrolo[3,4-c]pyrazoles: Identification of PHA-793887, a potent CDK inhibitor suitable for intravenous dosing. Bioorganic & medicinal chemistry 20100301
Properties