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DM3

CAT: 0804-HY-130080-03Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-130080-03Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DM3 (Maytansinoid DM3), a Maytansine analog bearing disulfide or thiol groups, and is a tubulin inhibitor. DM3 a cytotoxic moiety of antibody-drug conjugates (ADCs)[2].
CAS Number
796073-54-6
Product Name Alternative
Maytansinoid DM3
UNSPSC
12352203
Target
ADC Payload; Microtubule/Tubulin
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related; Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dm3.html
Concentration
10mM
Purity
95.59
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
C[C@]12[C@H]([C@@H]([C@](O3)([H])C[C@]([C@](/C=C/C=C(C)/CC4=CC(N(C)C(C[C@]2([H])OC([C@H](C)N(C)C(CCC(S)C)=O)=O)=O)=C(C(OC)=C4)Cl)([H])OC)(NC3=O)O)C)O1
Molecular Formula
C37H52ClN3O10S
Molecular Weight
766.34
References & Citations
[1]Chen H, et al. Tubulin Inhibitor-Based Antibody-Drug Conjugates for Cancer Therapy. Molecules. 2017 Aug 1;22 (8) .|[2]Griffin P, et al. High anti-tumor activity of a novel alpha-fetoprotein-maytansinoid conjugate targeting alpha-fetoprotein receptors in colorectal cancer xenograft model. Cancer Cell Int. 2023 Apr 5;23 (1) :60.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Maytansinoids

Chemical Information

Maytansinoid DM3
CAS Number796073-54-6
PubChem CID11578612
IUPAC Name[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(4-sulfanylpentanoyl)amino]propanoate
Molecular FormulaC37H52ClN3O10S
Molecular Weight766.3
XLogP3
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count52
Formal Charge0
Complexity1380
SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)S)C)\C)OC)(NC(=O)O2)O
InChI
InChI=1S/C37H52ClN3O10S/c1-20-11-10-12-28(48-9)37(46)19-27(49-35(45)39-37)22(3)33-36(5,51-33)29(50-34(44)23(4)40(6)30(42)14-13-21(2)52)18-31(43)41(7)25-16-24(15-20)17-26(47-8)32(25)38/h10-12,16-17,21-23,27-29,33,46,52H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21?,22-,23+,27+,28-,29+,33+,36+,37+/m1/s1
InChIKey
LJFFDOBFKICLHN-IXWHRVGISA-N
Chemical Structure
2D Structure
2D structure of Maytansinoid DM3
CAS: 796073-54-6
CID: 11578612
Formula: C37H52ClN3O10S
MW: 766.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight766.3
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass765.3061937
Monoisotopic Mass765.3061937
Topological Polar Surface Area157 Ų
Heavy Atom Count52
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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