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202592-23-2,MFCD28167916
Catalog No.:AA00288K

202592-23-2 | JQ-1 carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$8.00   $6.00
- +
5mg
98%
in stock  
$15.00   $11.00
- +
100mg
98%
in stock  
$75.00   $53.00
- +
250mg
98%
in stock  
$124.00   $87.00
- +
1g
98%
in stock  
$363.00   $254.00
- +
5g
95%
in stock  
$1,312.00   $919.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00288K
Chemical Name:
JQ-1 carboxylic acid
CAS Number:
202592-23-2
Molecular Formula:
C19H17ClN4O2S
Molecular Weight:
400.8819
MDL Number:
MFCD28167916
SMILES:
OC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
Properties
Computed Properties
 
Complexity:
613  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2019/148055,2019,A1Locationinpatent:Page/Pagecolumn158;161;168;170

[2]CurrentPatentAssignee:ARVINAS-WO2015/160845,2015,A2Locationinpatent:Page/Pagecolumn116;117

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2018/148440,2018,A1Locationinpatent:Page/Pagecolumn316;317

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2018/148443,2018,A1Locationinpatent:Page/Pagecolumn298

[3]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-US2016/176916,2016,A1Locationinpatent:Paragraph0107;0610

[1]CurrentPatentAssignee:UNIVERSITYOFDUNDEE-WO2016/146985,2016,A1Locationinpatent:Page/Pagecolumn89;90

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2017/24317,2017,A2Locationinpatent:Page/Pagecolumn235-236

[1]CurrentPatentAssignee:YALEUNIVERSITY;ARVINAS-WO2017/30814,2017,A1

Literature

Title: Huang Y, et, al. Design, Synthesis, and Evaluation of Trivalent PROTACs Having a Functionalization Site with Controlled Orientation. Bioconjug Chem. 2022 Jan 19;33(1):142-151.

Title: Chen W, et, al. Dual drugs decorated bacteria irradiate deep hypoxic tumor and arouse strong immune responses. Biomaterials. 2022 Jul;286:121582.

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SDS
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Tags:202592-23-2 Molecular Formula|202592-23-2 MDL|202592-23-2 SMILES|202592-23-2 JQ-1 carboxylic acid