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Revumenib

CAT: 0607-C8689-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C8689-25Size:25 mg
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Description
A potent, orally available, and highly selective inhibitor of the menin–KMT2A interaction
CAS Number
2169919-21-3
Product Name Alternative
N-ethyl-2- ((4- (7- (((1r,4r) -4- (ethylsulfonamido) cyclohexyl) methyl) -2,7-diazaspiro[3.5]nonan-2-yl) pyrimidin-5-yl) oxy) -5-fluoro-N-isopropylbenzamide
Synonyms
SNDX-5613
Purity
0.98
Smiles
FC1=CC=C (OC2=CN=CN=C2N3CC4 (CCN (C[C@@H]5CC[C@@H] (NS (CC) (=O) =O) CC5) CC4) C3) C (C (N (CC) C (C) C) =O) =C1
Molecular Formula
C32H47FN6O4S
Molecular Weight
630.82
Storage Conditions
Store at -20°C

Chemical Information

Revumenib

See also: Revumenib citrate (annotation moved to); Revumenib (annotation moved to).

CAS Number2169919-21-3
PubChem CID132212657
IUPAC NameN-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide
Molecular FormulaC32H47FN6O4S
Molecular Weight630.8
XLogP4.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC
InChI
InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3
InChIKey
FRVSRBKUQZKTOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Revumenib
CAS: 2169919-21-3
CID: 132212657
Formula: C32H47FN6O4S
MW: 630.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass630.33635334
Monoisotopic Mass630.33635334
Topological Polar Surface Area116 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19154219-01Revumenib
T202855-01Revumenib Citrate
S8996-5mgRevumenib (SNDX-5613)
C21534-1gSNDX-5613 (Revumenib)
A22526-2Revumenib (SNDX-5613) 2mg
A22526-25Revumenib (SNDX-5613) 25mg
A22526-1Revumenib (SNDX-5613) 1mg
A22526-10mM-DRevumenib (SNDX-5613) 10mM * 1mL in DMSO

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