Vc-MMAD - ≥97% , CAS No.1401963-17-4

CAS: 1401963-17-4 Cat. No.: V125316 Molecular Weight: 1369.71 PubChem CID: 78357803

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Description:
  Monomethyl auristatin D (MMAD), a potent tubulin inhibitor, is a toxin payload and antibody drug conjugate.
For comparison purposes, the ADC A1 -mc-MMAD and/or A1 -vc-MMAD were used. The linker payload, mc-MM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504772434
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772434
• Canonical Smiles: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC4=CC=C(C=C4)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=O
• IUPAC Name: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
• InChIKey: GRBICHHPFYWKKI-BDVWXETGSA-N
• INCHI: 1S/C70H104N12O14S/c1-14-45(8)61(53(94-12)40-57(86)81-37-22-26-52(81)62(95-13)46(9)63(87)76-51(67-72-35-38-97-67)39-47-23-17-15-18-24-47)79(10)68(91)59(43(4)5)78-66(90)60(44(6)7)80(11)70(93)96-41-48-28-30-49(31-29-48)74-64(88)50(25-21-34-73-69(71)92)75-65(89)58(42(2)3)77-54(83)27-19-16-20-36-82-55(84)32-33-56(82)85/h15,17-18,23-24,28-33,35,38,42-46,50-53,58-62H,14,16,19-22,25-27,34,36-37,39-41H2,1-13H3,(H,74,88)(H,75,89)(H,76,87)(H,77,83)(H,78,90)(H3,71,73,92)/t45-,46+,50-,51-,52-,53+,58-,59-,60-,61-,62+/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC4=CC=C(C=C4)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=O
• PubChem CID: 78357803
• Molecular Weight: 1369.71

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 1369.700 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 40
• Exact Mass: 1368.75 Da
• Monoisotopic Mass: 1368.75 Da
• Topological Polar Surface Area: 368.000 Ų
• Heavy Atom Count: 97
• Formal Charge: 0
• Complexity: 2620.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1