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Chemical structure of SGC 0946

GC11491

SGC 0946

Also known as 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

A potent inhibitor of DOT1L

ChemicalCAS1561178-17-3MW618.57FormulaC28H40BrN7O4
CAS number
1561178-17-3
Molecular weight
618.57
Formula
C28H40BrN7O4
Solubility
≥ 30·95 mg/mL in DMSO, ≥ 97·6 mg/mL in EtOH with ultrasonic
InChIKey
IQCKJUKAQJINMK-HUBRGWSESA-N
Catalogue number
GC11491
Brand
GLPBIO
Computed properties PubChem CID 56962337 · XLogP 3 · TPSA 151 Ų · H-bond donors 5
XLogP
3
TPSA
151 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
40

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

Computed descriptors from PubChem (CID 56962337), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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