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(Rac) -Taltobulin intermediate-1

CAT: 0804-HY-41045-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-41045-01Size:50 mg
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Description
(Rac) -Taltobulin intermediate-1 is an intermediate in the synthesis of Taltobulin. Taltobulin is a common toxin component in ADC preparation (ADC Cytotoxin), and it is also a powerful tubulin (Microtubule/Tubulin) inhibitor. Taltobulin disrupts tubulin polymerization, induces mitotic arrest, and induces apoptosis[1].
CAS Number
676487-35-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/rac-taltobulin-intermediate-1.html
Purity
99.11
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OC(C(N(C(OC(C)(C)C)=O)C)C(C)(C)C1=CC=CC=C1)=O
Molecular Formula
C17H25NO4
Molecular Weight
307.39
Precautions
H302, H315, H319, H335
References & Citations
[1]Loganzo F, et al. HTI-286, a synthetic analogue of the tripeptide hemiasterlin, is a potent antimicrotubule agent that circumvents P-glycoprotein-mediated resistance in vitro and in vivo. Cancer Res. 2003 Apr 15;63 (8) :1838-45.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-((tert-Butoxycarbonyl)(methyl)amino)-3-methyl-3-phenylbutanoic acid
CAS Number676487-35-7
PubChem CID11695225
IUPAC Name3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylbutanoic acid
Molecular FormulaC17H25NO4
Molecular Weight307.4
XLogP3.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity405
SMILES
CC(C)(C)OC(=O)N(C)C(C(=O)O)C(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C17H25NO4/c1-16(2,3)22-15(21)18(6)13(14(19)20)17(4,5)12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,19,20)
InChIKey
ZWQAFCGLXUTMKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((tert-Butoxycarbonyl)(methyl)amino)-3-methyl-3-phenylbutanoic acid
CAS: 676487-35-7
CID: 11695225
Formula: C17H25NO4
MW: 307.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass307.17835828
Monoisotopic Mass307.17835828
Topological Polar Surface Area66.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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