PTC-596

CAT: 1410-M12330-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M12330-05Size:50 mg

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Description

PTC-596 (PTC596) is a novel, orally active, small molecule inhibitor of BMI-1 that accelerates BMI-1 degradation, inhibits AML cells growth with IC50 of <100 nM.

CAS Number

1610964-64-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

420.347

Molecular Formula

C19H13F5N6

Notes

Research use only, not for human use.

Receptor

BMI-1

Chemical Information

Unesbulin

Unesbulin is an orally active inhibitor of the polycomb ring finger oncogene BMI1 (B-cell-specific Moloney murine leukemia virus integration site 1), with potential antineoplastic activity. Upon oral administration, unesbulin targets BMI1 expressed by both tumor cells and cancer stem cells (CSCs), and induces hyper-phosphorylation of BMI1 leading to its degradation. This inhibits BMI1-mediated signal transduction pathways and results in a reduction of proliferation of BMI1-expressing tumor cells. BMI1, a key protein in the polycomb repressive complex 1 (PRC1), is overexpressed in certain tumor cell types, and plays a key role in CSC survival, proliferation and resistance to chemotherapeutics; its expression is associated with increased tumor aggressiveness and a poor prognosis.

CAS Number	1610964-64-1
PubChem CID	74223469
IUPAC Name	5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Molecular Formula	C19H13F5N6
Molecular Weight	420.3
XLogP	4.7
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	586

SMILES

CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F

InChI

InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)

InChIKey

TWLWOOPCEXYVBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1610964-64-1

CID: 74223469

Formula: C19H13F5N6

MW: 420.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.3
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	420.11218525
Monoisotopic Mass	420.11218525
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	586
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
M14027-01	PTC-209
M12682-01	PTC-028
M17199-01	PTC-209 HBr
M33481-01	RO-5963

Alternative Products

Catalog	Name
MBS3602330-01	PTC-596
T86363-01	ELQ-596
HY-W952785	CRBN ligand-596
MBS5757374	L-670,596
B3179-5	PTC-209
BA2872-50	PTC-028
HY-172974	PTC-700
BP168106-01	PTC 028
MBS130358-01	PTC 209
GTR17970540	Ptc Antibody

PTC-596

Chemical Information

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