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646502-53-6,MFCD25372036
Catalog No.:AA0035PP

646502-53-6 | Vcmmae

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$48.00   $34.00
- +
5mg
98%
in stock  
$109.00   $76.00
- +
100mg
98%
in stock  
$359.00   $252.00
- +
250mg
95%
in stock  
$791.00   $554.00
- +
1g
95%
in stock  
$2,343.00   $1,640.00
- +
5g
95%
in stock  
$11,668.00 $8,168.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0035PP
Chemical Name:
Vcmmae
CAS Number:
646502-53-6
Molecular Formula:
C68H105N11O15
Molecular Weight:
1316.6260
MDL Number:
MFCD25372036
SMILES:
CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)/N=C(/[C@@H](N(C(=O)OCc1ccc(cc1)NC(=O)[C@@H](/N=C(/[C@H](C(C)C)/N=C(/CCCCCN1C(=O)C=CC1=O)\O)\O)CCCNC(=N)O)C)C(C)C)\O)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](/C(=N/[C@@H]([C@H](c1ccccc1)O)C)/O)C)OC)OC)C
Properties
Properties
 
BP:
1347.6±65.0°C at 760 mmHg  
Form:
Solid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
2520  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Heavy Atom Count:
94  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
8  
Rotatable Bond Count:
39  
XLogP3:
4.9  

Downstream Synthesis Route
159857-81-5    474645-27-7   
4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate 

[1]Patent:WO2016/54315,2016,A1.Locationinpatent:Page/Pagecolumn68;69

[2]Patent:WO2019/108797,2019,A1.Locationinpatent:Paragraph0118

[3]InternationalJournalofMolecularSciences,2017,vol.18

[4]Patent:CN107789630,2018,A.Locationinpatent:Paragraph0085;0086;0087

[5]Patent:CN108743968,2018,A.Locationinpatent:Paragraph0028;0029;0030

[6]Patent:WO2015/106599,2015,A1.Locationinpatent:Paragraph133

[7]Patent:WO2017/25057,2017,A1.Locationinpatent:Paragraph0140-0141

[8]Patent:CN109200291,2019,A.Locationinpatent:Paragraph0051;0071;0072;0073

Literature

Title: Okeley, et al. Intracellular Activation of SGN-35, a Potent Anti-CD30 Antibody-Drug Conjugate. Clinical Cancer Research (2010), 16(3), 888-897.

Title: Lisa Buckel, et al. Tumor radiosensitization by monomethyl auristatin E: mechanism of action and targeted delivery. Cancer Res. 2015 Apr 1;75(7):1376-87.

Title: Jianmin Fang, et al. Anti-her2 antibody and conjugate thereof. US 20160304621 A1.

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SDS
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Tags:646502-53-6 Molecular Formula|646502-53-6 MDL|646502-53-6 SMILES|646502-53-6 Vcmmae
Catalog No.: AA0035PP
646502-53-6,MFCD25372036
646502-53-6 | Vcmmae
Pack Size： 1mg
Purity： 98%
in stock
$48.00 $34.00
Pack Size： 5mg
Purity： 98%
in stock
$109.00 $76.00
Pack Size： 100mg
Purity： 98%
in stock
$359.00 $252.00
Pack Size： 250mg
Purity： 95%
in stock
$791.00 $554.00
Pack Size： 1g
Purity： 95%
in stock
$2,343.00 $1,640.00
Pack Size： 5g
Purity： 95%
in stock
$11,668.00 $8,168.00
Quantity
- +
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Technical Information
Catalog Number: AA0035PP
Chemical Name: Vcmmae
CAS Number: 646502-53-6
Molecular Formula: C68H105N11O15
Molecular Weight: 1316.6260
MDL Number: MFCD25372036
SMILES: CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)/N=C(/[C@@H](N(C(=O)OCc1ccc(cc1)NC(=O)[C@@H](/N=C(/[C@H](C(C)C)/N=C(/CCCCCN1C(=O)C=CC1=O)\O)\O)CCCNC(=N)O)C)C(C)C)\O)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](/C(=N/[C@@H]([C@H](c1ccccc1)O)C)/O)C)OC)OC)C
Properties
BP: 1347.6±65.0°C at 760 mmHg  
Form: Solid  
Storage: 2-8℃;  
Complexity: 2520  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 12  
Heavy Atom Count: 94  
Hydrogen Bond Acceptor Count: 15  
Hydrogen Bond Donor Count: 8  
Rotatable Bond Count: 39  
XLogP3: 4.9  
Downstream Synthesis Route
159857-81-5    474645-27-7   
4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate 

[1]Patent:WO2016/54315,2016,A1.Locationinpatent:Page/Pagecolumn68;69

[2]Patent:WO2019/108797,2019,A1.Locationinpatent:Paragraph0118

[3]InternationalJournalofMolecularSciences,2017,vol.18

[4]Patent:CN107789630,2018,A.Locationinpatent:Paragraph0085;0086;0087

[5]Patent:CN108743968,2018,A.Locationinpatent:Paragraph0028;0029;0030

[6]Patent:WO2015/106599,2015,A1.Locationinpatent:Paragraph133

[7]Patent:WO2017/25057,2017,A1.Locationinpatent:Paragraph0140-0141

[8]Patent:CN109200291,2019,A.Locationinpatent:Paragraph0051;0071;0072;0073

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