BGC > Product Search > (2S)-N-[(2S)-1-[[(3R,5S)-1-[(2S)-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]-methylamino]-3-methyl- | 474645-27-7

Molecular Formula: C39H67N5O7
Molecular Weight: 717.97858

Molecular Formula: C39H67N5O7
Molecular Weight: 717.97858

Molecular Formula: C39H67N5O7
Molecular Weight: 717.97858

Molecular Formula: C39H67N5O7
Molecular Weight: 717.97858

Description :
Monomethyl Auristatin E (MMAE) is a synthetic analog of dolastatin 10 that similarly inhibits tubulin polymerization and exhibits potent cytotoxicity. It is commonly conjugated with monoclonal antibodies directed at antigens specific to cancer cells for tumor-directed cytotoxicity.

• Molecular Weight :717.98
• Boiling Point :873.5±65.0 °C at 760 mmHg
• Melting Point :> 90°C (dec.)
• Purity :≥98.0% by HPLC

Molecular Formula :
C39H67N5O7
Canonical SMILES :
CC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC
InChI :
InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1
InChIKey :
DASWEROEPLKSEI-UIJRFTGLSA-N
Solubility :
Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated); Insoluble in Water
Appearance :
White to Off-white Solid
Application :
ADCs Cytotoxin
Storage : Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
Synonyms :
MMAE; Vedotin; Monomethyl auristatin E; Monomethylauristatin E; N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-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]-N-methyl-L-valinamide

More details are to be found here

Purity : 98%
Smile code : O[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)C(C)C)=O)=O)=O)OC)=O
MDL Number : MFCD22124498
MolFormula : C39H67N5O7
MolWeight : 717.9786
Available in stock : 45.331

More details are to be found here

Smile code:
O[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)C(C)C)=O)=O)=O)OC)=O
MDL Number:
MFCD22124498
Purity :
98%
Available in stock:
48.571 g

More details are to be found here

Smile code:
O[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)C(C)C)=O)=O)=O)OC)=O
MDL Number:
MFCD22124498
Purity :
98%
Available in stock:
48.571 g

More details are to be found here