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SMCC-DM1

CAT: 0013-GTR19174160-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174160-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SMCC-DM1 is a chemical linker-payload conjugate designed for constructing antibody-drug conjugates (ADCs) . The cytotoxic agent DM1 inhibits microtubule polymerization, while the SMCC linker enables stable attachment to antibodies. This reagent is widely used in preclinical research for developing targeted cancer therapies, with applications in both in vitro cytotoxicity assays and in vivo xenograft models.
CAS Number
1228105-51-8
Product Name Alternative
DM1-SMCC, DrugLinkerConjugatesforADC, DrugLinker Conjugates for ADC, Drug-Linker Conjugates for ADC, inhibit, Inhibitor, Maytansinoids, SMCC DM1, SMCCDM1, SMCC-DM1, SMCC-DM-1
Field of Research
Pharmacology & Drug Discovery
Purity
97.07% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (1.86 mM) ; DMSO:90 mg/mL (83.91 mM)
Smiles
CO[C@@H]1\C=C/C=C (C) \Cc2cc (OC) c (Cl) c (c2) N (C) C (=O) C[C@H] (OC (=O) [C@H] (C) N (C) C (=O) CCSC2CC (=O) N (CC3CCC (CC3) C (=O) ON3C (=O) CCC3=O) C2=O) [C@]2 (C) O[C@H]2[C@H] (C) [C@@H]2C[C@@]1 (O) NC (=O) O2
Molecular Formula
C51H66ClN5O16S
Molecular Weight
1072.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DM1-Smcc
CAS Number1228105-51-8
PubChem CID92131096
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[[(2S)-1-[[(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]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
Molecular FormulaC51H66ClN5O16S
Molecular Weight1072.6
XLogP2.1
Topological Polar Surface Area283
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count15
Heavy Atom Count74
Formal Charge0
Complexity2250
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)CCSC5CC(=O)N(C5=O)CC6CCC(CC6)C(=O)ON7C(=O)CCC7=O)C)\C)OC)(NC(=O)O2)O
InChI
InChI=1S/C51H66ClN5O16S/c1-27-10-9-11-37(69-8)51(67)25-35(70-49(66)53-51)28(2)45-50(4,72-45)38(24-42(61)55(6)33-21-31(20-27)22-34(68-7)44(33)52)71-47(64)29(3)54(5)39(58)18-19-74-36-23-43(62)56(46(36)63)26-30-12-14-32(15-13-30)48(65)73-57-40(59)16-17-41(57)60/h9-11,21-22,28-30,32,35-38,45,67H,12-20,23-26H2,1-8H3,(H,53,66)/b11-9+,27-10+/t28-,29+,30?,32?,35+,36?,37-,38+,45+,50+,51+/m1/s1
InChIKey
IADUWZMNTKHTIN-MLSWMBHTSA-N
Chemical Structure
2D Structure
2D structure of DM1-Smcc
CAS: 1228105-51-8
CID: 92131096
Formula: C51H66ClN5O16S
MW: 1072.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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