Products for Research Use Only
RegisterLogin

Duocarmycin MA

CAT: 0931-T11116-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T11116-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1613286-57-9
Target
DNA Alkylator/Crosslinker, ADC Cytotoxin
Related Pathways
DNA Damage/DNA Repair, Antibody-drug Conjugate/ADC Related
Bioactivity
Duocarmycin MA, an antibody drug conjugates (ADCs) toxin, is a DNA alkylating agent that binds in the minor groove and can be used against multi-drug resistant cell lines.
Smiles
C(Cl)[C@H]1C2=C(N(C(=O)C=3NC=4C(C3)=CC=C(NC(=O)C5=CC=C(NC(OC(C)(C)C)=O)C=C5)C4)C1)C=C(O)C=6C2=CC=CC6
Molecular Formula
C34H31ClN4O5
Molecular Weight
611.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Duocarmycin MA
CAS Number1613286-57-9
PubChem CID129896986
IUPAC Nametert-butyl N-[4-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-6-yl]carbamoyl]phenyl]carbamate
Molecular FormulaC34H31ClN4O5
Molecular Weight611.1
XLogP6.1
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=C(N3)C(=O)N4C[C@H](C5=C4C=C(C6=CC=CC=C65)O)CCl
InChI
InChI=1S/C34H31ClN4O5/c1-34(2,3)44-33(43)37-22-11-8-19(9-12-22)31(41)36-23-13-10-20-14-27(38-26(20)15-23)32(42)39-18-21(17-35)30-25-7-5-4-6-24(25)29(40)16-28(30)39/h4-16,21,38,40H,17-18H2,1-3H3,(H,36,41)(H,37,43)/t21-/m1/s1
InChIKey
MZXQBIDDBQCHFP-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Duocarmycin MA
CAS: 1613286-57-9
CID: 129896986
Formula: C34H31ClN4O5
MW: 611.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight611.1
XLogP36.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass610.1982978
Monoisotopic Mass610.1982978
Topological Polar Surface Area124 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T87846-01MA-PEG4-VC-PAB-DMEA-duocarmycin DM
T205786-01MA-PEG4-VC-PAB-DMEA-duocarmycin TM
T210307-01MA-PEG4-VC-PAB-DMEA-duocarmycin DM TFA
T15180-01Duocarmycin A
T11115-01Duocarmycin GA
T11118-01Duocarmycin SA
T19300-01Duocarmycin Analog
T11117-01Duocarmycin MB
T11120-01Duocarmycin TM
T73948-01Duocarmycin DM

Alternative Products

CatalogName
MBS3842936-01Duocarmycin
MBS5769013Duocarmycin A
HY-130978-01Duocarmycin DM
MBS130425-01Duocarmycin CN
A18472-100Duocarmycin 100mg
A21433-1Duocarmycin A 1mg
MBS5766545Duocarmycin GA
GTR19205999-01Duocarmycin MB
GTR19202727-01Duocarmycin Analog
M26182-01Duocarmycin TM

Popular Products