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1204669-58-8,MFCD29075639
Catalog No.:AA008TJF

1204669-58-8 | Epacadostat

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$16.00   $12.00
- +
2mg
98+%
in stock  
$24.00   $17.00
- +
5mg
98+%
in stock  
$33.00   $23.00
- +
10mg
98+%
in stock  
$46.00   $32.00
- +
50mg
98+%
in stock  
$83.00   $58.00
- +
100mg
98+%
in stock  
$124.00   $87.00
- +
250mg
98+%
in stock  
$186.00   $130.00
- +
1g
98+%
in stock  
$520.00   $364.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008TJF
Chemical Name:
Epacadostat
CAS Number:
1204669-58-8
Molecular Formula:
C11H13BrFN7O4S
Molecular Weight:
438.2328
MDL Number:
MFCD29075639
SMILES:
O/N=C(/c1nonc1NCCNS(=O)(=O)N)\Nc1ccc(c(c1)Br)F
Properties
Computed Properties
 
Complexity:
563  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Patent:US9320732,2016,B2

[2]ACSMedicinalChemistryLetters,2017,vol.8,p.486-491

[1]CurrentPatentAssignee:INCYTECORP-US9320732,2016,B2

[2]Yue,EddyW.;Sparks,Richard;Polam,Padmaja;Modi,Dilip;Douty,Brent;Wayland,Brian;Glass,Brian;Takvorian,Amy;Glenn,Joseph;Zhu,Wenyu;Bower,Michael;Liu,Xiangdong;Leffet,Lynn;Wang,Qian;Bowman,KevinJ.;Hansbury,MichaelJ.;Wei,Min;Li,Yanlong;Wynn,Richard;Burn,TimothyC.;Koblish,HollyK.;Fridman,JordanS.;Emm,Tom;Scherle,PeggyA.;Metcalf,Brian;Combs,AndrewP.[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.486-491]

[1]Yue,EddyW.;Sparks,Richard;Polam,Padmaja;Modi,Dilip;Douty,Brent;Wayland,Brian;Glass,Brian;Takvorian,Amy;Glenn,Joseph;Zhu,Wenyu;Bower,Michael;Liu,Xiangdong;Leffet,Lynn;Wang,Qian;Bowman,KevinJ.;Hansbury,MichaelJ.;Wei,Min;Li,Yanlong;Wynn,Richard;Burn,TimothyC.;Koblish,HollyK.;Fridman,JordanS.;Emm,Tom;Scherle,PeggyA.;Metcalf,Brian;Combs,AndrewP.[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.486-491]

[1]Yue,EddyW.;Sparks,Richard;Polam,Padmaja;Modi,Dilip;Douty,Brent;Wayland,Brian;Glass,Brian;Takvorian,Amy;Glenn,Joseph;Zhu,Wenyu;Bower,Michael;Liu,Xiangdong;Leffet,Lynn;Wang,Qian;Bowman,KevinJ.;Hansbury,MichaelJ.;Wei,Min;Li,Yanlong;Wynn,Richard;Burn,TimothyC.;Koblish,HollyK.;Fridman,JordanS.;Emm,Tom;Scherle,PeggyA.;Metcalf,Brian;Combs,AndrewP.[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.486-491]

Literature

Title: Liu X, et al. Selective inhibition of IDO1 effectively regulates mediators of antitumor immunity. Blood. 2010 Apr 29;115(17):3520-30.

Title: Koblish HK, et al. Hydroxyamidine inhibitors of indoleamine-2,3-dioxygenase potently suppress systemic tryptophan catabolism and the growth of IDO-expressing tumors. Mol Cancer Ther. 2010 Feb;9(2):489-98.

Title: Fu R, et al. LW106, a novel indoleamine 2,3-dioxygenase 1 inhibitor, suppresses tumour progression by limiting stroma-immune crosstalk and cancer stem cell enrichment in tumour micro-environment. Br J Pharmacol. 2018 Jul;175(14):3034-3049.

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SDS
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Tags:1204669-58-8 Molecular Formula|1204669-58-8 MDL|1204669-58-8 SMILES|1204669-58-8 Epacadostat
Catalog No.: AA008TJF
1204669-58-8,MFCD29075639
1204669-58-8 | Epacadostat
Pack Size： 1mg
Purity： 98+%
in stock
$16.00 $12.00
Pack Size： 2mg
Purity： 98+%
in stock
$24.00 $17.00
Pack Size： 5mg
Purity： 98+%
in stock
$33.00 $23.00
Pack Size： 10mg
Purity： 98+%
in stock
$46.00 $32.00
Pack Size： 50mg
Purity： 98+%
in stock
$83.00 $58.00
Pack Size： 100mg
Purity： 98+%
in stock
$124.00 $87.00
Pack Size： 250mg
Purity： 98+%
in stock
$186.00 $130.00
Pack Size： 1g
Purity： 98+%
in stock
$520.00 $364.00
Quantity
- +
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Technical Information
Catalog Number: AA008TJF
Chemical Name: Epacadostat
CAS Number: 1204669-58-8
Molecular Formula: C11H13BrFN7O4S
Molecular Weight: 438.2328
MDL Number: MFCD29075639
SMILES: O/N=C(/c1nonc1NCCNS(=O)(=O)N)\Nc1ccc(c(c1)Br)F
Properties
Complexity: 563  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 5  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Downstream Synthesis Route
1204669-69-1    1204669-37-3 

[1]Patent:US9320732,2016,B2

[2]ACSMedicinalChemistryLetters,2017,vol.8,p.486-491

1204669-63-5    1204669-58-8 

[1]CurrentPatentAssignee:INCYTECORP-US9320732,2016,B2

[2]Yue,EddyW.;Sparks,Richard;Polam,Padmaja;Modi,Dilip;Douty,Brent;Wayland,Brian;Glass,Brian;Takvorian,Amy;Glenn,Joseph;Zhu,Wenyu;Bower,Michael;Liu,Xiangdong;Leffet,Lynn;Wang,Qian;Bowman,KevinJ.;Hansbury,MichaelJ.;Wei,Min;Li,Yanlong;Wynn,Richard;Burn,TimothyC.;Koblish,HollyK.;Fridman,JordanS.;Emm,Tom;Scherle,PeggyA.;Metcalf,Brian;Combs,AndrewP.[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.486-491]

1204669-64-6    1204669-58-8 

[1]Yue,EddyW.;Sparks,Richard;Polam,Padmaja;Modi,Dilip;Douty,Brent;Wayland,Brian;Glass,Brian;Takvorian,Amy;Glenn,Joseph;Zhu,Wenyu;Bower,Michael;Liu,Xiangdong;Leffet,Lynn;Wang,Qian;Bowman,KevinJ.;Hansbury,MichaelJ.;Wei,Min;Li,Yanlong;Wynn,Richard;Burn,TimothyC.;Koblish,HollyK.;Fridman,JordanS.;Emm,Tom;Scherle,PeggyA.;Metcalf,Brian;Combs,AndrewP.[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.486-491]

1204669-65-7    1204669-58-8 

[1]Yue,EddyW.;Sparks,Richard;Polam,Padmaja;Modi,Dilip;Douty,Brent;Wayland,Brian;Glass,Brian;Takvorian,Amy;Glenn,Joseph;Zhu,Wenyu;Bower,Michael;Liu,Xiangdong;Leffet,Lynn;Wang,Qian;Bowman,KevinJ.;Hansbury,MichaelJ.;Wei,Min;Li,Yanlong;Wynn,Richard;Burn,TimothyC.;Koblish,HollyK.;Fridman,JordanS.;Emm,Tom;Scherle,PeggyA.;Metcalf,Brian;Combs,AndrewP.[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.486-491]

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