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Cys-McMMAF

CAT: 0804-HY-150233-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-150233-03Size:10 mg
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Description
Cys-McMMAF is the released payload of AlMcMMAF, an anti-5T4 humanized A1 antibody conjugated to the microtubule disrupting MMAF via a maleimidocaproyl linker. Cys-McMMAF has antitumor efficacy in two tumor mouse models (H1975 and MDA-MB-361-DYT2 models).
CAS Number
1160590-05-5
UNSPSC
12352203
Target
Microtubule/Tubulin
Type
ADC Related
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cys-mcmmaf.html
Purity
99.45
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC([C@H](CC1=CC=CC=C1)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](C(C)C)N(C)C(CCCCCN3C(C(CC3=O)SC[C@H](N)C(O)=O)=O)=O)=O)=O)=O)OC)=O)=O
Molecular Formula
C52H83N7O13S
Molecular Weight
1046.32
References & Citations
[1]Leal M, et al. Preclinical Development of an anti-5T4 Antibody-Drug Conjugate: Pharmacokinetics in Mice, Rats, and NHP and Tumor/Tissue Distribution in Mice. Bioconjug Chem. 2015 Nov 18;26 (11) :2223-32.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

Denintuzumab mafodotin

Vorsetuzumab mafodotin is under investigation in clinical trial NCT01677390 (A Phase 1b Study of SGN-75 in Combination With Everolimus in Patients With Renal Cell Carcinoma).

CAS Number1160590-05-5
PubChem CID86278355
IUPAC Name(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC52H83N7O13S
Molecular Weight1046.3
XLogP1.4
Topological Polar Surface Area301
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count31
Heavy Atom Count73
Formal Charge0
Complexity1880
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)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C52H83N7O13S/c1-12-32(6)45(38(71-10)27-41(61)58-25-19-22-37(58)46(72-11)33(7)47(63)54-36(52(69)70)26-34-20-15-13-16-21-34)57(9)50(66)43(30(2)3)55-48(64)44(31(4)5)56(8)40(60)23-17-14-18-24-59-42(62)28-39(49(59)65)73-29-35(53)51(67)68/h13,15-16,20-21,30-33,35-39,43-46H,12,14,17-19,22-29,53H2,1-11H3,(H,54,63)(H,55,64)(H,67,68)(H,69,70)/t32-,33+,35-,36-,37-,38+,39?,43-,44-,45-,46+/m0/s1
InChIKey
BXTJCSYMGFJEID-XMTADJHZSA-N
Chemical Structure
2D Structure
2D structure of Denintuzumab mafodotin
CAS: 1160590-05-5
CID: 86278355
Formula: C52H83N7O13S
MW: 1046.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1046.3
XLogP31.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count31
Exact Mass1045.57695690
Monoisotopic Mass1045.57695690
Topological Polar Surface Area301 Ų
Heavy Atom Count73
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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