Home Amines 164658-13-3
164658-13-3,MFCD00938945
Catalog No.:AA001UXI

164658-13-3 | 1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-

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1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
98%
in stock  
$142.00   $100.00
- +
10mg
98%
in stock  
$195.00   $137.00
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25mg
98%
in stock  
$272.00   $191.00
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50mg
98%
in stock  
$380.00   $266.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001UXI
Chemical Name:
1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-
CAS Number:
164658-13-3
Molecular Formula:
C18H18ClN5O
Molecular Weight:
355.8214
MDL Number:
MFCD00938945
SMILES:
OCCCNc1nccc(c1)c1ccnc(n1)Nc1cccc(c1)Cl
Properties
Computed Properties
 
Complexity:
389  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
3.8  

Downstream Synthesis Route

[1]Stanetty,Peter;Hattinger,Gregor;Schnuerch,Michael;Mihovilovic,MarkoD.[JournalofOrganicChemistry,2005,vol.70,#13,p.5215-5220]

[1]Stanetty,Peter;Hattinger,Gregor;Schnuerch,Michael;Mihovilovic,MarkoD.[JournalofOrganicChemistry,2005,vol.70,#13,p.5215-5220]

[2]Stanetty,Peter;Hattinger,Gregor;Schnuerch,Michael;Mihovilovic,MarkoD.[JournalofOrganicChemistry,2005,vol.70,#13,p.5215-5220]

[1]Stanetty,Peter;Hattinger,Gregor;Schnuerch,Michael;Mihovilovic,MarkoD.[JournalofOrganicChemistry,2005,vol.70,#13,p.5215-5220]

[2]Stanetty,Peter;Hattinger,Gregor;Schnuerch,Michael;Mihovilovic,MarkoD.[JournalofOrganicChemistry,2005,vol.70,#13,p.5215-5220]

CASUnavailable 
  156-87-6    164658-13-3 

[1]CurrentPatentAssignee:VICHEMCHEMIEKFT-US2008/187575,2008,A1Locationinpatent:Page/Pagecolumn30-31

Literature

Title: Identification of pyrimidine derivatives as hSMG-1 inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20121101

Title: Expanding the diversity of allosteric bcr-abl inhibitors.

Journal: Journal of medicinal chemistry 20101014

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Novel and efficient access to phenylamino-pyrimidine type protein kinase C inhibitors utilizing a Negishi cross-coupling strategy.

Journal: The Journal of organic chemistry 20050624

Title: Synthesis and discovery of pyrazine-pyridine biheteroaryl as a novel series of potent vascular endothelial growth factor receptor-2 inhibitors.

Journal: Journal of medicinal chemistry 20050324

Title: A genome-wide overexpression screen in yeast for small-molecule target identification.

Journal: Chemistry & biology 20050101

Title: Jorda R, et al. How Selective Are Pharmacological Inhibitors of Cell-Cycle-Regulating Cyclin-Dependent Kinases?. J Med Chem. 2018;61(20):9105-9120.

Title: Han HW, et al. LINCS L1000 dataset-based repositioning of CGP-60474 as a highly potent anti-endotoxemic agent. Sci Rep. 2018;8(1):14969. Published 2018 Oct 8.

Title: Stanetty P, et al. Novel and efficient access to phenylamino-pyrimidine type protein kinase C inhibitors utilizing a Negishi cross-coupling strategy. J Org Chem. 2005;70(13):5215-5220.

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Tags:164658-13-3 Molecular Formula|164658-13-3 MDL|164658-13-3 SMILES|164658-13-3 1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-