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MMAF intermediate 2

CAT: 0804-HY-79254-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-79254-04Size:100 mg
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Description
MMAF intermediate 2 is an intermediate for the synthesis of MMAF. MMAF (Monomethylauristatin F) is a potent inhibitor of tubulin polymerization and the cytotoxic (ADC Cytotoxin) component of classic antibody drug conjugates (ADCs), such as Vorsetuzumab mafodotin and SGN-CD19A[1].
CAS Number
864238-20-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ADC Payload
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mmaf-intermediate-2.html
Purity
99.77
Solubility
10 mM in DMSO
Smiles
O=C(N[C@H](C(OC)=O)CC1=CC=CC=C1)[C@H](C)[C@@H](OC)[C@H]2NCCC2.Cl
Molecular Formula
C19H29ClN2O4
Molecular Weight
384.90
Precautions
H302, H315, H319, H335
References & Citations
[1]Lee JW, et al. EphA2 targeted chemotherapy using an antibody drug conjugate in endometrial carcinoma. Clin Cancer Res. 2010 May 1;16 (9) :2562-70. [Content Brief]
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-methyl 2-((2R,3R)-3-methoxy-2-methyl-3-((S)-pyrrolidin-2-yl)propanamido)-3-phenylpropanoate hydrochloride
CAS Number864238-20-0
PubChem CID118704819
IUPAC Namemethyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]-3-phenylpropanoate;hydrochloride
Molecular FormulaC19H29ClN2O4
Molecular Weight384.9
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity437
SMILES
C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC.Cl
InChI
InChI=1S/C19H28N2O4.ClH/c1-13(17(24-2)15-10-7-11-20-15)18(22)21-16(19(23)25-3)12-14-8-5-4-6-9-14;/h4-6,8-9,13,15-17,20H,7,10-12H2,1-3H3,(H,21,22);1H/t13-,15+,16+,17-;/m1./s1
InChIKey
IKNWSNCMBMHJAU-WOLLCHHQSA-N
Chemical Structure
2D Structure
2D structure of (S)-methyl 2-((2R,3R)-3-methoxy-2-methyl-3-((S)-pyrrolidin-2-yl)propanamido)-3-phenylpropanoate hydrochloride
CAS: 864238-20-0
CID: 118704819
Formula: C19H29ClN2O4
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass384.1815851
Monoisotopic Mass384.1815851
Topological Polar Surface Area76.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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