Products for Research Use Only
RegisterLogin

MMAF intermediate 1

CAT: 0931-T89657-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T89657-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
161485-82-1
Target
ADC Cytotoxin
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
MMAFintermediate 1 serves as a precursor in the synthesis of MMAF (Monomethylauristatin F), an effective inhibitor of tubulin polymerization. MMAF is a cytotoxic component commonly used in antibody-drug conjugates (ADCs) such as Vorsetuzumab mafodotin and SGN-CD19A. This compound plays a crucial role in the production of classic ADC cytotoxins.
Smiles
[C@H]([C@H](C(N[C@@H](CC1=CC=CC=C1)C(OC)=O)=O)C)(OC)[C@]2(N(C(OC(C)(C)C)=O)CCC2)[H]
Molecular Formula
C24H36N2O6
Molecular Weight
448.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

tert-Butyl (S)-2-((1R,2R)-1-methoxy-3-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CAS Number161485-82-1
PubChem CID86685729
IUPAC Nametert-butyl (2S)-2-[(1R,2R)-1-methoxy-3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
Molecular FormulaC24H36N2O6
Molecular Weight448.6
XLogP3.3
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity641
SMILES
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C24H36N2O6/c1-16(20(30-5)19-13-10-14-26(19)23(29)32-24(2,3)4)21(27)25-18(22(28)31-6)15-17-11-8-7-9-12-17/h7-9,11-12,16,18-20H,10,13-15H2,1-6H3,(H,25,27)/t16-,18+,19+,20-/m1/s1
InChIKey
RDNYSJATGQDZQN-BTHPGYMESA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl (S)-2-((1R,2R)-1-methoxy-3-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CAS: 161485-82-1
CID: 86685729
Formula: C24H36N2O6
MW: 448.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass448.25733687
Monoisotopic Mass448.25733687
Topological Polar Surface Area94.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T89660-01MMAF intermediate 2
T3256-01MMAF
T204553-01Doxapram intermediate-1
TP1874-01Alisporivir intermediate-1
T11074-01Dolutegravir intermediate-1
T208345-01Tubulysin A intermediate-1
TYD-02729-01TAM558 intermediate-1
T10884-01CRAC intermediate 1
T84827-01SC209 intermediate-1
TMAH-00761-01Anti-MMAE&MMAF Antibody (9M523)

Alternative Products

CatalogName
GTR19237703-01MMAF intermediate 1
GTR19237699-01MMAF intermediate 2
B3270-10MMAF
BA2356-5MMAF-OtBu
BA2334-100MMAF-OMe

Popular Products