EPZ5676

CAT: 0013-GTR19163363-02Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19163363-02Size:200 mg

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Description

EPZ-5676 is an S-adenosyl methionine (SAM) competitive inhibitor of protein methyltransferase DOT1L with Ki of 80 pM, demonstrating >37,000-fold selectivity against all other PMTs tested, inhibits H3K79 methylation in tumor. Phase 1. (In Vitro) :Pinometostat (EPZ-5676) inhibits H3K79me2 with IC50 values of 3 nM and 5 nM in MV4-11 and HL60 cells, respectively. Pinometostat (EPZ-5676) is a potent inhibitor of MV4-11 proliferation with an IC50 value of 3.5 nM. Pinometostat (EPZ-5676) induces a synergistic and durable antiproliferative effect, increases expression of differentiation markers and apoptosis as single agent, and demonstrates combination benefit in combination with AML standard of care drugs in MLL-r cells. (In Vivo) :Pinometostat (EPZ-5676) (70 mg/kg, i.p.) causes complete and sustained regression in a rat xenograft model of MLL-rearranged leukemia. Pinometostat (EPZ-5676) (70, 35 mg/kg, i.v.) reduces HOXA9 and MEIS1 mRNA levels of tumors taken from rats, and reduces MLL-fusion target gene expression in vivo.

CAS Number

1380288-87-8

Product Name Alternative

EPZ5676 | EPZ-5676 | EPZ 5676 | Pinometostat

Purity

>98% (HPLC)

Solubility

Ethanol: 92 mg/mL warmed (163.49 mM) ; DMSO: 100 mg/mL warmed (177.71 mM)

Smiles

O[C@H]1[C@H] (N2C=NC3=C (N) N=CN=C23) O[C@H] (CN ([C@H]4C[C@@H] (CCC5=NC6=CC (C (C) (C) C) =CC=C6N5) C4) C (C) C) [C@H]1O

Molecular Formula

C30H42N8O3

Molecular Weight

562.71

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Other Product Names

(2R,3R,4S,5R) -2- (6-amino-9H-purin-9-yl) -5- ((((1r,3S) -3- (2- (5- (tert-butyl) -1H-benzo[d]imidazol-2-yl) ethyl) cyclobutyl) (isopropyl) amino) methyl) tetrahydrofuran-3,4-diol

Chemical Information

Pinometostat

Pinometostat (EPZ-5676) is a potent DOT1L histone methyltransferase inhibitor.

CAS Number	1380288-87-8
PubChem CID	57345410
IUPAC Name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol
Molecular Formula	C30H42N8O3
Molecular Weight	562.7
XLogP	4.3
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	41
Formal Charge	0
Complexity	884

SMILES

CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C

InChI

InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17?,19?,22-,25-,26-,29-/m1/s1

InChIKey

LXFOLMYKSYSZQS-XKHGBIBOSA-N

Chemical Structure

2D Structure

CAS: 1380288-87-8

CID: 57345410

Formula: C30H42N8O3

MW: 562.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	562.7
XLogP3	4.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	562.33798723
Monoisotopic Mass	562.33798723
Topological Polar Surface Area	151 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	884
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
27625-2	EPZ5676
S7062-01	Pinometostat (EPZ5676)

EPZ5676

Chemical Information

Alternative Products

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