ABT-702 dihydrochloride

CAT: 0931-T4668-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T4668-01Size:1 mg

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

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CAS Number

1188890-28-9

Target

Adenosine Receptor

Related Pathways

Neuroscience, GPCR/G Protein

Purity

0.99

Bioactivity

ABT-702 dihydrochloride is a highly potent inhibitor of adenosine kinase (AK) .

Smiles

Cl.Cl.Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1

Molecular Formula

C22H21BrCl2N6O

Molecular Weight

536.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Adenosine Kinase Inhibitor

CAS Number	1188890-28-9
PubChem CID	16760265
IUPAC Name	5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;dihydrochloride
Molecular Formula	C22H21BrCl2N6O
Molecular Weight	536.2
Topological Polar Surface Area	90.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	564

SMILES

C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl

InChI

InChI=1S/C22H19BrN6O.2ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);2*1H

InChIKey

OOXNYFKPOPJIOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1188890-28-9

CID: 16760265

Formula: C22H21BrCl2N6O

MW: 536.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	536.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	534.03373
Monoisotopic Mass	534.03373
Topological Polar Surface Area	90.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	564
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	3
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T4668L-01	ABT-702
T38346-01	ABT 702 hydrochloride
T84880-01	ABT-702 hydrochloride
T12653-01	(Rac) -ABT-202 dihydrochloride
T2513-01	VX-702
T23613-01	ACH-702
TPL0202-01	Compound 702-79-4
T40951-01	ABT-107
T69503-01	ABT-518
T14085	ABT-046

Alternative Products

Catalog	Name
HY-103161-01	ABT-702 dihydrochloride
254504	ABT 702 dihydrochloride
A19624-100	ABT-702 dihydrochloride 100mg
A19624-50	ABT-702 dihydrochloride 50mg
A19624-5	ABT-702 dihydrochloride 5mg
A19624-2	ABT-702 dihydrochloride 2mg
A19624-1	ABT-702 dihydrochloride 1mg
A19624-500	ABT-702 dihydrochloride 500mg
A19624-25	ABT-702 dihydrochloride 25mg
A19624-10	ABT-702 dihydrochloride 10mg

ABT-702 dihydrochloride

Chemical Information

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