CBB3001

CAT: 1410-M12479-01Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1410-M12479-01Size:1 Each

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Description

CBB3001 (CBB-3001) is a novel potent, selective histone demethylase LSD1 inhibitor with IC50 of 21.25 uM.

CAS Number

1639358-50-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

349.427

Molecular Formula

C19H27NO5

Notes

Research use only, not for human use.

Receptor

Histone Demethylase

Chemical Information

tert-Butyl (2-(4-((tert-butoxycarbonyl)oxy)phenyl)cyclopropyl)carbamate

CAS Number	1639358-50-1
PubChem CID	123350747
IUPAC Name	tert-butyl [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl] carbonate
Molecular Formula	C19H27NO5
Molecular Weight	349.4
XLogP	4
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	483

SMILES

CC(C)(C)OC(=O)NC1CC1C2=CC=C(C=C2)OC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27NO5/c1-18(2,3)24-16(21)20-15-11-14(15)12-7-9-13(10-8-12)23-17(22)25-19(4,5)6/h7-10,14-15H,11H2,1-6H3,(H,20,21)

InChIKey

VVFYDJJSFHIMKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1639358-50-1

CID: 123350747

Formula: C19H27NO5

MW: 349.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	349.18892296
Monoisotopic Mass	349.18892296
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19209663-01	CBB3001