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1020172-07-9,MFCD19443646
Catalog No.:AA000692
1020172-07-9 | Dcc-2036
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1mg
≥98%
1 week  
$138.00   $97.00
- +
5mg
99%
1 week  
$162.00   $113.00
- +
10mg
1 week  
$188.00   $132.00
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50mg
99%
1 week  
$511.00   $358.00
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100mg
1 week  
$786.00   $550.00
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250mg
1 week  
$1,411.00   $988.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000692
Chemical Name:
Dcc-2036
CAS Number:
1020172-07-9
Molecular Formula:
C30H28FN7O3
Molecular Weight:
553.5868
MDL Number:
MFCD19443646
IUPAC Name:
4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
InChI:
InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
InChI Key:
WVXNSAVVKYZVOE-UHFFFAOYSA-N
SMILES:
CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C
UNII:
75017Q6I97
Properties
Computed Properties
 
Complexity:
904  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.224g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
553.598g/mol
Monoisotopic Mass:
553.224g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

Synonyms
 
DCC-2036 
REBASTINIB 
DCC2036 
4-[4-({[3-Tert-Butyl-1-(Quinolin-6-Yl)-1h-Pyrazol-5-Yl]carbamoyl}amino)-3-Fluorophenoxy]-N-Methylpyridine-2-Carboxamide 
DP-1919 
75017Q6I97 
4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide 
1-[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-3-{2-fluoro-4-[2-(methylcarbamoyl)pyridin-4-yloxy]phenyl}urea 
4-(4-(3-(3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl)ureido)-3-fluorophenoxy)-N-methylpicolinamide 
4-[4-[(5-Tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide,4-methylbenzenesulfonic acid;4-[4-[(5-Tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide,4-methylbenzenesulfonic acid 
N-[3-tert-Butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-N'-[2-fluoro-4-[(2-(methylcarbamoyl)pyridin-4-yl)oxy]phenyl]urea 
Rebastinib [USAN:INN] 
DCC-2036 
3qri 
3qrj 
Rebastinib (USAN) 
DP 1919 
Rebastinib/DCC-2036 
DCC-2036; Rebastinib 
Rebastinib (DCC-2036) 
Rebastinib(DCC-2036 ) 
cc-606 
MLS006011270 
1020172-07-9 
GTPL9173 
SCHEMBL2034290 
CHEMBL1738757 
C30H28FN7O3 
DTXSID40144533 
QCR-201 
BDBM185674 
HMS3656H07 
AOB87733 
BCP02345 
DCC-2036 (Rebastinib) 
EX-A2046 
KS-00001D3R 
ABP001004 
ABP001046 
MFCD19443646 
s2634 
ZINC63933734 
AKOS025404839 
BCP9000591 
CS-1038 
DCC 2036 
DB13005 
SB16618 
NCGC00263172-01 
NCGC00263172-09 
AC-30301 
AK174792 
AS-17048 
BC261917 
HY-13024 
SMR004703020 
CHEBI:62166 
AB0033775 
FT-0760974 
SW219251-1 
X7511 
J3.653.310B 
D10334 
W-5814 
DCC 2036, DCC2036, 357263-13-9 
2-Pyridinecarboxamide, 4-[4-[[[[3-(1,1-dimethylethyl)-1-(6-quinolinyl)-1H-pyrazol-5-yl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl- 
4-[4-({[5-tert-butyl-2-(quinolin-6-yl)pyrazol-3-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide 
UNII-75017Q6I97 
Rebastinib [USAN] 
REBASTINIB TOSYLATE 
D0E0NM 
DCC-2618 
B1404 
A11200 
C560099 
1033893-29-6 
1225278-16-9 
357263-13-9 
Rebastinib(DCC-2036) 
4-(4-(3-(3-(tert-butyl)-1-(quinolin-6-yl)-1H-pyrazol-5-yl)ureido)-3-fluorophenoxy)-N-methylpicolinamide 
Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Philadelphia-positive acute lymphoblastic leukemia: current treatment options.

Journal: Current oncology reports 20121001

Title: The BCR-ABL35INS insertion/truncation mutant is kinase-inactive and does not contribute to tyrosine kinase inhibitor resistance in chronic myeloid leukemia.

Journal: Blood 20111110

Title: The ABL switch control inhibitor DCC-2036 is active against the chronic myeloid leukemia mutant BCR-ABLT315I and exhibits a narrow resistance profile.

Journal: Cancer research 20110501

Title: Conformational control inhibition of the BCR-ABL1 tyrosine kinase, including the gatekeeper T315I mutant, by the switch-control inhibitor DCC-2036.

Journal: Cancer cell 20110412

Title: Targeting the BCR-ABL signaling pathway in therapy-resistant Philadelphia chromosome-positive leukemia.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20110115

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