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BMS-561392

CAT: 0013-GTR19195334-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195334-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-561392
CAS Number
611227-74-8
Product Name Alternative
TNF-α, BMS 561392, BMS561392, BMS-561392, DPC-333, DPC333, DPC 333
Field of Research
Cell Biology
Purity
99.16% (May vary between batches)
Solubility
DMSO:45 mg/mL (94.42 mM)
Smiles
N[C@@]1 (C (=O) N ([C@@H] (C (NO) =O) CC (C) C) CC1) C2=CC=C (OCC=3C4=C (N=C (C) C3) C=CC=C4) C=C2
Molecular Formula
C27H32N4O4
Molecular Weight
476.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-561392

structure in first source

CAS Number611227-74-8
PubChem CID9847838
IUPAC Name(2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
Molecular FormulaC27H32N4O4
Molecular Weight476.6
XLogP3.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity741
SMILES
CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](CC(C)C)C(=O)NO)N
InChI
InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1
InChIKey
QVNZBDLTUKCPGJ-SHQCIBLASA-N
Chemical Structure
2D Structure
2D structure of Bms-561392
CAS: 611227-74-8
CID: 9847838
Formula: C27H32N4O4
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass476.24235551
Monoisotopic Mass476.24235551
Topological Polar Surface Area118 Ų
Heavy Atom Count35
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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