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1010100-07-8,MFCD31657329
Catalog No.:AA01EPL7

1010100-07-8 | N-(3-chloro-4-methylphenyl)-N'-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]methyl]-urea

Pack Size
Purity
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Price(USD)
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1mg
≥98%
in stock  
$245.00   $171.00
- +
100mg
95%
in stock  
$279.00   $196.00
- +
250mg
95%
in stock  
$463.00   $324.00
- +
1g
95%
in stock  
$933.00   $653.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01EPL7
Chemical Name:
N-(3-chloro-4-methylphenyl)-N'-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]methyl]-urea
CAS Number:
1010100-07-8
Molecular Formula:
C22H21ClN4O4
Molecular Weight:
440.8795
MDL Number:
MFCD31657329
SMILES:
O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O
Properties
Computed Properties
 
Complexity:
747  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route
1158264-69-7    28479-22-3   
N-(3-Chloro-4-methylphenyl)-N'-2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-ylmethyl-urea 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2008/27542,2008,A2Locationinpatent:Page/Pagecolumn91

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2015/200795,2015,A1Locationinpatent:Paragraph00393

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2017/117118,2017,A1Locationinpatent:Paragraph00476

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/53732,2010,A1Locationinpatent:Page/Pagecolumn87-88

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/53732,2010,A1Locationinpatent:Page/Pagecolumn90-91

1158264-69-7   
3-chloro-4-methylphenylisocyanate 
 
N-(3-Chloro-4-methylphenyl)-N'-2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-ylmethyl-urea 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2016/57503,2016,A1Locationinpatent:Paragraph00412

Literature

Title: A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.

Journal: Nature 20160714

Title: Mary E. Matyskiela, et al. A novel cereblon modulator recruits GSPT1 to the CRL4CRBN ubiquitin ligase. Nature. 2016 Jul 14;535(7611):252-7.

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Tags:1010100-07-8 Molecular Formula|1010100-07-8 MDL|1010100-07-8 SMILES|1010100-07-8 N-(3-chloro-4-methylphenyl)-N'-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]methyl]-urea