SGC0946

CAT: 0013-GTR19163026-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19163026-01Size:100 mg

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Description

SGC0946 is a highly potent and selective DOT1L methyltransferase inhibitor with IC50 of 0.3 nM; selectively kill mixed lineage leukaemia cells.

CAS Number

1561178-17-3

Product Name Alternative

SGC-0946 | SGC 0946 | SGC0946.

Purity

>98% (HPLC)

Solubility

Ethanol: 100 mg/mL (161.66 mM) ; DMSO: 100 mg/mL (161.66 mM)

Smiles

O=C (NC1=CC=C (CC (C) C) C=C1) NCCCN (C[C@H]2O[C@@H] (N3C=C (Br) C4=C (N) N=CN=C43) [C@H] (O) [C@@H]2O) C (C) C

Molecular Formula

C28H40BrN7O4

Molecular Weight

618.57

Storage Conditions

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

Notes

For research use only.

Other Product Names

1- (3- ((((2R,3S,4R,5R) -5- (4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl) -3,4-dihydroxytetrahydrofuran-2-yl) methyl) (isopropyl) amino) propyl) -3- (4-isobutylphenyl) urea

Chemical Information

Sgc0946

SGC0946 is an organic molecular entity.

CAS Number	1561178-17-3
PubChem CID	56962337
IUPAC Name	1-[3-[[(2R,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea
Molecular Formula	C28H40BrN7O4
Molecular Weight	618.6
XLogP	3
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	40
Formal Charge	0
Complexity	825

SMILES

CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O

InChI

InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1

InChIKey

IQCKJUKAQJINMK-HUBRGWSESA-N

Chemical Structure

2D Structure

CAS: 1561178-17-3

CID: 56962337

Formula: C28H40BrN7O4

MW: 618.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	618.6
XLogP3	3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	617.23252
Monoisotopic Mass	617.23252
Topological Polar Surface Area	151 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	825
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
HY-15650-01	SGC0946
T211545-01	SGC0946 TFA
HY-15650A	SGC0946 (TFA)
bs-60101C-01	SGC0946 --- DOT1L inhibitor

SGC0946

Chemical Information

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