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Home Amines 1257044-40-8
1257044-40-8,MFCD23160052
Catalog No.:AA000OG2

1257044-40-8 | 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
in stock  
$6.00   $4.00
- +
2mg
99%
in stock  
$9.00   $6.00
- +
25mg
99%
in stock  
$49.00   $34.00
- +
100mg
99%
in stock  
$52.00   $36.00
- +
250mg
99%
in stock  
$58.00   $40.00
- +
1g
99%
in stock  
$109.00   $76.00
- +
5g
99%
in stock  
$396.00   $277.00
- +
100g
97%
in stock  
$5,997.00   $4,198.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000OG2
Chemical Name:
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
CAS Number:
1257044-40-8
Molecular Formula:
C45H50ClN7O7S
Molecular Weight:
868.4392
MDL Number:
MFCD23160052
SMILES:
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC1CCOCC1
Properties
Properties
 
Form:
Solid  
MP:
129-163ºC  
Storage:
Light sensitive;Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
1640  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
12  
XLogP3:
8.2  

Downstream Synthesis Route

[1]Patent:CN108997333,2018,A.Locationinpatent:Paragraph0065;0067;0075;0084;0094;0103;0113

[2]JournalofOrganicChemistry,2019,vol.84,p.4814-4829

[3]Patent:US2014/275540,2014,A1.Locationinpatent:Paragraph0163;0164

[4]Patent:CN104370905,2016,B.Locationinpatent:Paragraph0030;0031;0036;0037

[5]Patent:WO2017/156398,2017,A1.Locationinpatent:Paragraph0253;0254;0255;0256;0257;0258;0259-0261

[6]Patent:WO2012/71336,2012,A1.Locationinpatent:Page/Pagecolumn20

[7]Patent:WO2018/29711,2018,A2.Locationinpatent:Page/Pagecolumn37;38;39

[8]Patent:US2010/305122,2010,A1.Locationinpatent:Page/Pagecolumn122

[9]Patent:WO2016/24230,2016,A1.Locationinpatent:Paragraph00749

[10]Patent:US10213433,2019,B2.Locationinpatent:Page/Pagecolumn17

[11]Patent:WO2011/150016,2011,A1.Locationinpatent:Page/Pagecolumn82

[12]Patent:WO2017/212431,2017,A1.Locationinpatent:Page/Pagecolumn66

[13]Patent:WO2018/225043,2018,A1.Locationinpatent:Page/Pagecolumn17;18

[1]Patent:WO2011/150016,2011,A1

[2]Patent:WO2016/24230,2016,A1

[1]Patent:WO2011/150016,2011,A1

[2]Patent:WO2012/71336,2012,A1

[3]Patent:WO2016/24230,2016,A1

[4]Patent:WO2018/29711,2018,A2

[5]Patent:US10213433,2019,B2

[1]Patent:WO2011/150016,2011,A1

[2]Patent:WO2012/71336,2012,A1

[3]Patent:WO2016/24230,2016,A1

[4]Patent:US10213433,2019,B2

[1]Patent:WO2011/150016,2011,A1

[2]Patent:WO2012/71336,2012,A1

[3]Patent:US10213433,2019,B2

Literature

Title: Venetoclax-Rituximab in Relapsed or Refractory Chronic Lymphocytic Leukemia.

Journal: The New England journal of medicine 20180322

Title: Bruton's tyrosine kinase inhibitors: first and second generation agents for patients with Chronic Lymphocytic Leukemia (CLL).

Journal: Expert opinion on investigational drugs 20180101

Title: Bcl-2 inhibitors reduce steroid-insensitive airway inflammation.

Journal: The Journal of allergy and clinical immunology 20170801

Title: Pharmacokinetics of Venetoclax, a Novel BCL-2 Inhibitor, in Patients With Relapsed or Refractory Chronic Lymphocytic Leukemia or Non-Hodgkin Lymphoma.

Journal: Journal of clinical pharmacology 20170401

Title: Evaluation of Rifampin's Transporter Inhibitory and CYP3A Inductive Effects on the Pharmacokinetics of Venetoclax, a BCL-2 Inhibitor: Results of a Single- and Multiple-Dose Study.

Journal: Journal of clinical pharmacology 20161101

Title: Genomics and drug profiling of fatal TCF3-HLF-positive acute lymphoblastic leukemia identifies recurrent mutation patterns and therapeutic options.

Journal: Nature genetics 20150901

Title: ABT-199 (venetoclax) and BCL-2 inhibitors in clinical development.

Journal: Journal of hematology & oncology 20150101

Title: ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.

Journal: Nature medicine 20130201

Title: Souers AJ, et al. ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. Nat Med. 2013 Feb;19(2):202-8.

Title: Peirs S, et al. ABT-199 mediated inhibition of BCL-2 as a novel therapeutic strategy in T-cell acute lymphoblastic leukemia. Blood. 2014 Dec 11;124(25):3738-47.

Title: Bi C, et al. Inhibition of 4EBP phosphorylation mediates the cytotoxic effect of mechanistic target of rapamycin kinase inhibitors in aggressive B-cell lymphomas. Haematologica. 2017 Apr;102(4):755-764.

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Tags:1257044-40-8 Molecular Formula|1257044-40-8 MDL|1257044-40-8 SMILES|1257044-40-8 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide