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(1S,2S) -Bortezomib

CAT: 0013-GTR19216995-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216995-01Size:200 mg
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Description
(1S,2S) -Bortezomib is an enantiomer of Bortezomib. Bortezomib is a reversible and selective inhibitor of the proteasome with a Ki of 0.6 nM for 20S proteasome. (In Vitro) :Bortezomib disrupts the cell cycle, induces apoptosis, inhibits NF-κB, and possesses anti-cancer capacity.
CAS Number
1132709-14-8
Product Name Alternative
Bortezomib
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (130.13 mM)
Smiles
[C@H] (CC1=CC=CC=C1) (C (N[C@H] (CC (C) C) B (O) O) =O) NC (=O) C=2C=NC=CN2
Molecular Formula
C19H25BN4O4
Molecular Weight
384.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
CAS Number1132709-14-8
PubChem CID24871309
IUPAC Name[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
Molecular FormulaC19H25BN4O4
Molecular Weight384.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity500
SMILES
B([C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
InChI
InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
InChIKey
GXJABQQUPOEUTA-DOTOQJQBSA-N
Chemical Structure
2D Structure
2D structure of ((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
CAS: 1132709-14-8
CID: 24871309
Formula: C19H25BN4O4
MW: 384.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass384.1968855
Monoisotopic Mass384.1968855
Topological Polar Surface Area124 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
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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