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210644-62-5,MFCD09743433
Catalog No.:AA002KTY

210644-62-5 | 3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$6.00   $4.00
- +
25mg
97%
in stock  
$12.00   $8.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002KTY
Chemical Name:
3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
CAS Number:
210644-62-5
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
MDL Number:
MFCD09743433
SMILES:
OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cccc2
NSC Number:
702827
Properties
Properties
 
BP:
590.5°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
516  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Upstream Synthesis Route

[1]Patent:US6878733,2005,B1,.Locationinpatent:Page/Pagecolumn215

[2]Patent:US6878733,2005,B1,.Locationinpatent:Page/Pagecolumn215

[3]JournalofHeterocyclicChemistry,2003,vol.40,#1,p.181-185

[4]JournalofMedicinalChemistry,1999,vol.42,#25,p.5120-5130

[5]Patent:US6395734,2002,B1,

[1]Patent:US6846839,2005,B1,

[1]JournalofMedicinalChemistry,1999,vol.42,#25,p.5120-5130

[1]Patent:US6395734,2002,B1,

[1]JournalofHeterocyclicChemistry,2003,vol.40,#1,p.181-185

[2]JournalofMedicinalChemistry,1999,vol.42,#25,p.5120-5130

Downstream Synthesis Route

[1]Patent:US6878733,2005,B1.Locationinpatent:Page/Pagecolumn215

[2]Patent:US6878733,2005,B1.Locationinpatent:Page/Pagecolumn215

[3]JournalofHeterocyclicChemistry,2003,vol.40,p.181-185

[4]JournalofMedicinalChemistry,1999,vol.42,p.5120-5130

[5]Patent:US6395734,2002,B1

[1]Patent:US6846839,2005,B1

[1]JournalofHeterocyclicChemistry,2003,vol.40,p.181-185

[1]JournalofHeterocyclicChemistry,2003,vol.40,p.181-185

[2]JournalofMedicinalChemistry,1999,vol.42,p.5120-5130

[1]JournalofMedicinalChemistry,1999,vol.42,p.5120-5130

Literature

Title: Laird AD, et, al. SU6668 is a potent antiangiogenic and antitumor agent that induces regression of established tumors. Cancer Res. 2000 Aug 1;60(15):4152-60.

Title: Laird ad, et, al. SU6668 inhibits Flk-1/KDR and PDGFRbeta in vivo, resulting in rapid apoptosis of tumor vasculature and tumor regression in mice. FASEB J. 2002 May;16(7):681-90.

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SDS
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Tags:210644-62-5 Molecular Formula|210644-62-5 MDL|210644-62-5 SMILES|210644-62-5 3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid