Cas 461444-55-3,(4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide

461444-55-3

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Basic information

Product Name: (4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide
Synonyms: KNI-10006;21BKD6T22E;CHEMBL231522;KNI10006;(4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide;461444-55-3;(4R)-N-((1S,2R)-2,3-Dihydro-2-hydroxy-1H-inden-1-yl)-3-((2S,3S)-3-((2-(2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-4-thiazolidinecarboxamide;4-Thiazolidinecarboxamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-3-((2S,3S)-3-((2-(2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4R)-;3fnu;3kdb;3qs1;D0S3BO;UNII-21BKD6T22E;SCHEMBL13788265;BDBM50209559;Q27447750;(R)-3-((2S,3S)-3-(2-(2,6-dimethylphenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide
CAS NO:461444-55-3
Molecular Formula: C35H41N3O6S
Molecular Weight: 631.8
EINECS: N/A
Product Categories: N/A

Chemical Properties

Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Appearance: N/A
Density: N/A
Refractive Index: N/A
Storage Temp.: N/A
Solubility: N/A
CAS DataBase Reference: (4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide(CAS DataBase Reference)
NIST Chemistry Reference: (4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide(461444-55-3)
EPA Substance Registry System: (4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide(461444-55-3)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 461444-55-3(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 461444-55-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,6,1,4,4 and 4 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 461444-55:
(8*4)+(7*6)+(6*1)+(5*4)+(4*4)+(3*4)+(2*5)+(1*5)=143
143 % 10 = 3
So 461444-55-3 is a valid CAS Registry Number.

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461444-55-3Relevant academic research and scientific papers

How much binding affinity can be gained by filling a cavity?

Kawasaki, Yuko,Chufan, Eduardo E.,Lafont, Virginie,Hidaka, Koushi,Kiso, Yoshiaki,Mario Amzel,Freire, Ernesto

, p. 143 - 151 (2010)

Binding affinity optimization is critical during drug development. Here, we evaluate the thermodynamic consequences of filling a binding cavity with functionalities of increasing van der Waals radii (-H, -F, -Cl, and CH 3) that improve the geom

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