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PPA-037

CAT: 0013-GTR19257623-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257623-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PPA-037 is an orally active and highly selective inhibitor of cyclin-dependent kinase 12 (CDK12) . It induces the degradation of Cyclin K, thereby enhancing antiproliferative effects on tumor cells. PPA-037 holds potential for use in cancer research.
CAS Number
2883700-83-0
Field of Research
Cell Biology, Neuroscience
Smiles
N (CC1=CC=C (C=C1) C2=CC=CC=N2) C=3N4C (=C (C=N4) C5CC5) N=C (N[C@H]6CCNC6) C3
Molecular Formula
C25H27N7
Molecular Weight
425.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-cyclopropyl-7-N-[(4-pyridin-2-ylphenyl)methyl]-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CAS Number2883700-83-0
PubChem CID166529630
IUPAC Name3-cyclopropyl-7-N-[(4-pyridin-2-ylphenyl)methyl]-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
Molecular FormulaC25H27N7
Molecular Weight425.5
XLogP3.7
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity605
SMILES
C1CNC[C@H]1NC2=NC3=C(C=NN3C(=C2)NCC4=CC=C(C=C4)C5=CC=CC=N5)C6CC6
InChI
InChI=1S/C25H27N7/c1-2-11-27-22(3-1)19-6-4-17(5-7-19)14-28-24-13-23(30-20-10-12-26-15-20)31-25-21(18-8-9-18)16-29-32(24)25/h1-7,11,13,16,18,20,26,28H,8-10,12,14-15H2,(H,30,31)/t20-/m0/s1
InChIKey
SURDWBSTQAAZRE-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of 3-cyclopropyl-7-N-[(4-pyridin-2-ylphenyl)methyl]-5-N-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CAS: 2883700-83-0
CID: 166529630
Formula: C25H27N7
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass425.23279389
Monoisotopic Mass425.23279389
Topological Polar Surface Area79.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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