AC-155

CAT: 0931-T29539-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T29539-03Size:100 mg

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

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CAS Number

80296-68-0

Target

Others

Related Pathways

Others

Bioactivity

AC-155 is a bamifylline metabolite in human plasma that may induce apoptosis selectively in cancer cells.

Smiles

C(CN)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1CC3=CC=CC=C3

Molecular Formula

C16H19N5O2

Molecular Weight

313.35

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

AC 155

bamifylline metabolite in human plasma; structure given in first source

CAS Number	80296-68-0
PubChem CID	133437
IUPAC Name	7-(2-aminoethyl)-8-benzyl-1,3-dimethylpurine-2,6-dione
Molecular Formula	C16H19N5O2
Molecular Weight	313.35
XLogP	0.5
Topological Polar Surface Area	84.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	465

SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCN

InChI

InChI=1S/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(9-8-17)12(18-14)10-11-6-4-3-5-7-11/h3-7H,8-10,17H2,1-2H3

InChIKey

RBFZLGAFXRJECP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80296-68-0

CID: 133437

Formula: C16H19N5O2

MW: 313.35

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	313.35
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	313.15387487
Monoisotopic Mass	313.15387487
Topological Polar Surface Area	84.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	465
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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GTR19195961-01	AC-155
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6491/10	YM 155
GTR19199571-01	TGX-155
GTR19172326-01	YM-155
GTR19158131-01	TG4-155

AC-155

Chemical Information

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