CB-002

CAT: 0804-HY-122712Size: 1 EachDry Ice: NoHazardous: No

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Description

CB-002 is an active molecule that can be used for the study of advanced malignant solid neoplasm[1].

CAS Number

61034-15-9

UNSPSC

12352005

Target

Drug Derivative

Related Pathways

Others

Field of Research

Cancer

Smiles

O=C1C2=C(N(C)C(N1C)=O)N=C(NC3=CC=CC=C3)N2

Molecular Formula

C13H13N5O2

Molecular Weight

271.27

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

8-anilino-1,3-dimethyl-7H-purine-2,6-dione is an oxopurine.

CAS Number	61034-15-9
PubChem CID	378526
IUPAC Name	8-anilino-1,3-dimethyl-7H-purine-2,6-dione
Molecular Formula	C13H13N5O2
Molecular Weight	271.27
XLogP	1.5
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	410

SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C13H13N5O2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,14,15,16)

InChIKey

RXCJTNUAETXUOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61034-15-9

CID: 378526

Formula: C13H13N5O2

MW: 271.27

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	271.27
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	271.10692467
Monoisotopic Mass	271.10692467
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	410
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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HY-121541-01	CB-25

Alternative Products

Catalog	Name
MBS3605291	CB-002
555929	CB-103
RSD81788-01	CB-6644
T69426-01	CB-83
T30761-01	CB 3703
T14880-01	CB-7921220
T72011-01	CB-892
T30764	CB 3988
444036-01	CB-839
T23863-01	CB-6673567

CB-002

Chemical Information

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