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BKS3031A

CAT: 0013-GTR19249204-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249204-02Size:10 mg
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Description
BKS3031A is a colchicine-site inhibitor of αβ-tubulin that suppresses microtubule dynamics. This small molecule is utilized in cancer research for its anti-mitotic properties, applicable in both in vitro cytoskeleton studies and in vivo models of tumor growth.
CAS Number
1449771-90-7
Field of Research
Signal Transduction
Smiles
C ([C@@H] ([C@@H] (CC1=CC=CC=C1) N) O) N2CCN (C[C@@H] ([C@@H] (CC3=CC=CC=C3) N) O) CC2
Molecular Formula
C24H36N4O2
Molecular Weight
412.568
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,3R)-3-amino-1-[4-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutyl]piperazin-1-yl]-4-phenylbutan-2-ol
CAS Number1449771-90-7
PubChem CID176455410
IUPAC Name(2S,3R)-3-amino-1-[4-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutyl]piperazin-1-yl]-4-phenylbutan-2-ol
Molecular FormulaC24H36N4O2
Molecular Weight412.6
XLogP1
Topological Polar Surface Area99
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity418
SMILES
C1CN(CCN1C[C@@H]([C@@H](CC2=CC=CC=C2)N)O)C[C@@H]([C@@H](CC3=CC=CC=C3)N)O
InChI
InChI=1S/C24H36N4O2/c25-21(15-19-7-3-1-4-8-19)23(29)17-27-11-13-28(14-12-27)18-24(30)22(26)16-20-9-5-2-6-10-20/h1-10,21-24,29-30H,11-18,25-26H2/t21-,22-,23+,24+/m1/s1
InChIKey
SJMWWVFCCDJAAA-LWSSLDFYSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-3-amino-1-[4-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutyl]piperazin-1-yl]-4-phenylbutan-2-ol
CAS: 1449771-90-7
CID: 176455410
Formula: C24H36N4O2
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass412.28382640
Monoisotopic Mass412.28382640
Topological Polar Surface Area99 Ų
Heavy Atom Count30
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T205578-01BKS3031A

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