NSD1 inhibitor BT5

CAT: 0013-GTR19178362Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19178362Size:5 mg

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Description

NSD1 inhibitor BT5 is a covalent, small molecule inhibitor of NSD1 histone methyltransferase with IC50 of 1.4 uM, shows no covalent binding to NSD2.

CAS Number

2351225-46-0

Field of Research

Epigenetics & Chromatin; Pharmacology & Drug Discovery

Purity

>98%

Smiles

C1C (=CC2SC (N) =NC=2C=1O) N1CC1C

Molecular Formula

C10H11N3OS

Molecular Weight

221.28

Notes

For research use only.

Chemical Information

2-Amino-6-(2-methylaziridin-1-yl)benzo[d]thiazol-4-ol

CAS Number	2351225-46-0
PubChem CID	138713923
IUPAC Name	2-amino-6-(2-methylaziridin-1-yl)-1,3-benzothiazol-4-ol
Molecular Formula	C10H11N3OS
Molecular Weight	221.28
XLogP	2
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	265

SMILES

CC1CN1C2=CC(=C3C(=C2)SC(=N3)N)O

InChI

InChI=1S/C10H11N3OS/c1-5-4-13(5)6-2-7(14)9-8(3-6)15-10(11)12-9/h2-3,5,14H,4H2,1H3,(H2,11,12)

InChIKey

PHBIAWCGMOCBGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2351225-46-0

CID: 138713923

Formula: C10H11N3OS

MW: 221.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	221.28
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	221.06228316
Monoisotopic Mass	221.06228316
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	265
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

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Chemical Information

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