UBCS039

CAT: 1410-M14233-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M14233-05Size:50 mg

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Description

UBCS039 (UBCS-039) is the first synthetic activator of the NAD+-dependent protein lysine deacetylase SIRT6 with EC50 of 38 uM.

CAS Number

358721-70-7

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

247.301

Molecular Formula

C16H13N3

Notes

Research use only, not for human use.

Receptor

Sirtuin

Chemical Information

4-(Pyridin-3-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline

CAS Number	358721-70-7
PubChem CID	2803797
IUPAC Name	4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
Molecular Formula	C16H13N3
Molecular Weight	247.29
XLogP	2.5
Topological Polar Surface Area	29.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	319

SMILES

C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CN=CC=C4

InChI

InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H

InChIKey

BSOBGTYXYGHUTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 358721-70-7

CID: 2803797

Formula: C16H13N3

MW: 247.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.29
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	247.110947427
Monoisotopic Mass	247.110947427
Topological Polar Surface Area	29.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes