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N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide

N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide structure

CAS No:
228266-40-8
Formula:
C27H43N3O4
Chemical Name:
N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide
Synonyms:
L-Valinamide,N,β,β-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-;L-Valinamide,N,β,β-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl]-N,3-dimethyl-;N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide;SPA 110;HTI 286;Taltobulin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Taltobulin is an analogue of the naturally occurring tripeptide hemiasterlin, with potential antimitotic and antineoplastic activities. Taltobulin binds tubulin in a similar manner as colchicine and inhibits tubulin polymerization. This results in the disruption of the cytoskeleton, ultimately leading to cell cycle arrest in G2/M phase, blockage of cell division and apoptosis.

N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide Basic Attributes

Molecular Weight：

473.64800

Exact Mass：

473.65

UNII：

J6D6912BXS

DSSTox ID：

DTXSID2041040

NCI Thesaurus Code：

C75998

Characteristics

PSA：

98.74000

XLogP3：

4.37880

Density：

1.063g/cm3

Melting Point：

135-137 °C

Boiling Point：

662.4ºC

Flash Point：

354.4ºC

Drug Information

MeSH Entry Terms：

HTI 286

Computed Properties

Molecular Weight:473.6
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:473.32535686
Monoisotopic Mass:473.32535686
Topological Polar Surface Area:98.7
Heavy Atom Count:34
Complexity:746
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 228266-40-8

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Guide of N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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Latest News
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