ATX inhibitor 8

CAT: 0931-T63612-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63612-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2156656-37-8

Target

PDE, Others

Related Pathways

Metabolism, Others

Bioactivity

ATX inhibitor 8 is an inhibitor of the autocrine motor factor Autotaxin (ATX) .

Smiles

C(C(=O)N1CC2=C(CC1)NN=N2)N3C=C(C(=N3)C=4C=CN=CC4)C=5C=NC(NC6CC=7C(C6)=CC=CC7)=NC5

Molecular Formula

C28H26N10O

Molecular Weight

518.57

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ATX inhibitor 8

CAS Number	2156656-37-8
PubChem CID	141724188
IUPAC Name	2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
Molecular Formula	C28H26N10O
Molecular Weight	518.6
XLogP	2
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	819

SMILES

C1CN(CC2=NNN=C21)C(=O)CN3C=C(C(=N3)C4=CC=NC=C4)C5=CN=C(N=C5)NC6CC7=CC=CC=C7C6

InChI

InChI=1S/C28H26N10O/c39-26(37-10-7-24-25(16-37)34-36-33-24)17-38-15-23(27(35-38)18-5-8-29-9-6-18)21-13-30-28(31-14-21)32-22-11-19-3-1-2-4-20(19)12-22/h1-6,8-9,13-15,22H,7,10-12,16-17H2,(H,30,31,32)(H,33,34,36)

InChIKey

BHQKFSUCBUOHOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2156656-37-8

CID: 141724188

Formula: C28H26N10O

MW: 518.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	518.6
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	518.22910549
Monoisotopic Mass	518.22910549
Topological Polar Surface Area	130 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	819
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

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T39136	ATX inhibitor 7
T207167-01	ATX inhibitor 26
T63524-01	ATX inhibitor 10
T63564-01	ATX inhibitor 22
T63510-01	ATX inhibitor 21
T10410-01	ATX inhibitor 1
T207452-01	ATX inhibitor 27
T63829-01	ATX inhibitor 20
T63584-01	ATX inhibitor 12
T208849-01	ATX inhibitor 24

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ATX inhibitor 8

Chemical Information

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