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Home Other Building Blocks 1783816-74-9
1783816-74-9,MFCD30723183
Catalog No.:AA01ENCS

1783816-74-9 | NVS-PAK1-1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$54.00   $38.00
- +
5mg
≥98%
in stock  
$173.00   $121.00
- +
10mg
98%
in stock  
$228.00   $160.00
- +
100mg
≥98%
in stock  
$2,179.00   $1,525.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01ENCS
Chemical Name:
NVS-PAK1-1
CAS Number:
1783816-74-9
Molecular Formula:
C23H25ClF3N5O
Molecular Weight:
479.9257
MDL Number:
MFCD30723183
SMILES:
FC(CN1c2ccc(cc2C(=Nc2c1ccc(c2)F)N[C@H]1CCN(C1)C(=O)NC(C)C)Cl)F
Properties
Computed Properties
 
Complexity:
726  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
4.5  

Downstream Synthesis Route
CASUnavailable 
  1783816-74-9 

[1]Karpov,AlexeiS.;Amiri,Payman;Bellamacina,Cornelia;Bellance,Marie-Helene;Breitenstein,Werner;Daniel,Dylan;Denay,Regis;Fabbro,Doriano;Fernandez,Cesar;Galuba,Inga;Guerro-Lagasse,Stephanie;Gutmann,Sascha;Hinh,Linda;Jahnke,Wolfgang;Klopp,Julia;Lai,Albert;Lindvall,MikaK.;Ma,Sylvia;Möbitz,Henrik;Pecchi,Sabina;Rummel,Gabriele;Shoemaker,Kevin;Trappe,Joerg;Voliva,Charles;Cowan-Jacob,SandraW.;Marzinzik,AndreasL.[ACSMedicinalChemistryLetters,2015,vol.6,#7,p.776-781]

[1]Karpov,AlexeiS.;Amiri,Payman;Bellamacina,Cornelia;Bellance,Marie-Helene;Breitenstein,Werner;Daniel,Dylan;Denay,Regis;Fabbro,Doriano;Fernandez,Cesar;Galuba,Inga;Guerro-Lagasse,Stephanie;Gutmann,Sascha;Hinh,Linda;Jahnke,Wolfgang;Klopp,Julia;Lai,Albert;Lindvall,MikaK.;Ma,Sylvia;Möbitz,Henrik;Pecchi,Sabina;Rummel,Gabriele;Shoemaker,Kevin;Trappe,Joerg;Voliva,Charles;Cowan-Jacob,SandraW.;Marzinzik,AndreasL.[ACSMedicinalChemistryLetters,2015,vol.6,#7,p.776-781]

446-09-3   
(S)-3-(2-chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzob,e1,4diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide 

[1]ACSMedicinalChemistryLetters,2015,vol.6,p.776-781

CASUnavailable 
  1783816-74-9 

[1]Karpov,AlexeiS.;Amiri,Payman;Bellamacina,Cornelia;Bellance,Marie-Helene;Breitenstein,Werner;Daniel,Dylan;Denay,Regis;Fabbro,Doriano;Fernandez,Cesar;Galuba,Inga;Guerro-Lagasse,Stephanie;Gutmann,Sascha;Hinh,Linda;Jahnke,Wolfgang;Klopp,Julia;Lai,Albert;Lindvall,MikaK.;Ma,Sylvia;Möbitz,Henrik;Pecchi,Sabina;Rummel,Gabriele;Shoemaker,Kevin;Trappe,Joerg;Voliva,Charles;Cowan-Jacob,SandraW.;Marzinzik,AndreasL.[ACSMedicinalChemistryLetters,2015,vol.6,#7,p.776-781]

[1]Karpov,AlexeiS.;Amiri,Payman;Bellamacina,Cornelia;Bellance,Marie-Helene;Breitenstein,Werner;Daniel,Dylan;Denay,Regis;Fabbro,Doriano;Fernandez,Cesar;Galuba,Inga;Guerro-Lagasse,Stephanie;Gutmann,Sascha;Hinh,Linda;Jahnke,Wolfgang;Klopp,Julia;Lai,Albert;Lindvall,MikaK.;Ma,Sylvia;Möbitz,Henrik;Pecchi,Sabina;Rummel,Gabriele;Shoemaker,Kevin;Trappe,Joerg;Voliva,Charles;Cowan-Jacob,SandraW.;Marzinzik,AndreasL.[ACSMedicinalChemistryLetters,2015,vol.6,#7,p.776-781]

Literature

Title: Karpov AS, et al. Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. ACS Med Chem Lett. 2015 May 22;6(7):776-81.

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