ZINC194100678

CAT: 0931-T60269-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T60269-01Size:1 mg

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CAS Number

1995025-05-2

Target

PAK

Related Pathways

Cytoskeletal Signaling

Purity

0.9855

Bioactivity

ZINC194100678 is an effective PAK1 inhibitor with IC50 of 8.37μM. ZINC194100678 showed strong anti-proliferation activity, with IC50 value of 40.16μM against MDA-MB-231.

Smiles

N(C1=C2C(NN=C2)=NC=N1)C3CCOCC3

Molecular Formula

C10H13N5O

Molecular Weight

219.24

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS Number	1995025-05-2
PubChem CID	150720856
IUPAC Name	N-(oxan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
Molecular Formula	C10H13N5O
Molecular Weight	219.24
XLogP	0.9
Topological Polar Surface Area	75.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	233

SMILES

C1COCCC1NC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C10H13N5O/c1-3-16-4-2-7(1)14-9-8-5-13-15-10(8)12-6-11-9/h5-7H,1-4H2,(H2,11,12,13,14,15)

InChIKey

JPVDXNVUNZMZNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1995025-05-2

CID: 150720856

Formula: C10H13N5O

MW: 219.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	219.24
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	219.11201006
Monoisotopic Mass	219.11201006
Topological Polar Surface Area	75.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BUP12708-01	ZINC194100678

ZINC194100678

Chemical Information

Alternative Products

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