CBB1007

CAT: 0013-GTR19206314-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19206314-01Size:25 mg

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Description

CBB1007 is a potent and reversible LSD1 inhibitor that acts by competing with the substrate, exhibiting an IC50 of 5.27 μM against the human enzyme. This small molecule is a valuable research tool for probing LSD1's role in epigenetic regulation, cancer biology, and stem cell differentiation in both cellular and biochemical assays.

CAS Number

1379573-92-8

Field of Research

Epigenetics & Chromatin

Smiles

C (=O) (C1=CC (CN2CCN (C (=N) N) CC2) =CC (C (OC) =O) =C1) N3CCN (C (=O) C4=CC=C (C (=N) N) C=C4) CC3

Molecular Formula

C27H34N8O4

Molecular Weight

534.61

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Methyl 3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-[(4-carbamimidoylpiperazin-1-yl)methyl]benzoate

CAS Number	1379573-92-8
PubChem CID	72199289
IUPAC Name	methyl 3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-[(4-carbamimidoylpiperazin-1-yl)methyl]benzoate
Molecular Formula	C27H34N8O4
Molecular Weight	534.6
XLogP	-0.2
Topological Polar Surface Area	173
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	921

SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)CN4CCN(CC4)C(=N)N

InChI

InChI=1S/C27H34N8O4/c1-39-26(38)22-15-18(17-32-6-8-35(9-7-32)27(30)31)14-21(16-22)25(37)34-12-10-33(11-13-34)24(36)20-4-2-19(3-5-20)23(28)29/h2-5,14-16H,6-13,17H2,1H3,(H3,28,29)(H3,30,31)

InChIKey

IBVRETRIDAQSEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379573-92-8

CID: 72199289

Formula: C27H34N8O4

MW: 534.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	534.6
XLogP3	-0.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	534.27030160
Monoisotopic Mass	534.27030160
Topological Polar Surface Area	173 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	921
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

Related Products

Catalog	Name
GTR19206316-01	CBB1003
GTR19209663-01	CBB3001
GTR19229803-01	CBB1003 hydrochloride (1379573-88-2 free base)

Alternative Products

Catalog	Name
B1263-50	CBB1007
T72388-01	CBB1007 hydrochloride
A16374-10	CBB1007 10mg
T72244-01	CBB1007 trihydrochloride
HY-15313B-01	CBB1007 (hydrochloride)
HY-15313C-01	CBB1007 (trihydrochloride)
A16374-5	CBB1007 5mg
A16374-100	CBB1007 100mg
A16374-50	CBB1007 50mg
A16374-25	CBB1007 25mg

CBB1007

Chemical Information

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