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Revumenib (SNDX-5613)

CAT: 0957-S8996-10mM/1mLSize: 10 mM/1mLDry Ice: NoHazardous: No
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CAT#:0957-S8996-10mM/1mLSize:10 mM/1mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2169919-21-3
Target
MLL
Applications
Epigenetics
Smiles
CCN (C (C) C) C (=O) C1=C (OC2=CN=CN=C2N3CC4 (CCN (CC4) CC5CCC (CC5) N[S] (=O) (=O) CC) C3) C=CC (=C1) F
Molecular Formula
C32H47FN6O4S
Additionnal Information
Revumenib (SNDX-5613) is a potent and selective inhibitor of menin-MLL binding with a Ki of 0.15 nM. SNDX-5613 shows anti-proliferative activity against multiple cell lines harboring MLLr translocations (MV4;11, RS4;11, MOLM-13, KOPN-8) with IC50 values ranging from 10-20 nM.
Storage Conditions
3 years -20°C powder

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

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Alternative Products

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A22526-1Revumenib (SNDX-5613) 1mg
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A22526-5SNDX-5613 5mg
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