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Maytansine derivative M24

CAT: 0804-HY-171125Size: 1 EachDry Ice: NoHazardous: No
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Description
Maytansine derivative M24 is an ADC Drug-Linker Conjugates for ADC that can be used to synthesize ADC REGN5093-M114[1].
CAS Number
2226467-81-6
UNSPSC
12352203
Target
Drug-Linker Conjugates for ADC
Related Pathways
Antibody-drug Conjugate/ADC Related
Field of Research
Cancer
Smiles
C[C@]12[C@H]([C@@H]([C@@H]3C[C@]([C@@H](/C=C/C=C(CC4=CC(N(C(C[C@@H]2OC([C@H](C)N(C)C(CCN(C)C(OCC5=CC=C(NC([C@H](CCCNC(N)=O)NC([C@@H](NC(CCCCC(O)=O)=O)C(C)C)=O)=O)C=C5)=O)=O)=O)=O)C)=C(C(OC)=C4)Cl)\C)OC)(NC(O3)=O)O)C)O1
Molecular Formula
C61H86ClN9O18
Molecular Weight
1268.84
References & Citations
[1]Drilon A, et al. EP10. 01-03 A Phase 1/2 Study of REGN5093-M114, a METxMET Antibody-Drug Conjugate, in Patients with MET-Overexpressing NSCLC. Journal of Thoracic Oncology, 2023, 18 (11) : S602-S603.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

Maytansine derivative M24
CAS Number2226467-81-6
PubChem CID134510404
IUPAC Name6-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[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]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
Molecular FormulaC61H86ClN9O18
Molecular Weight1268.8
XLogP2.2
Topological Polar Surface Area366
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count27
Heavy Atom Count89
Formal Charge0
Complexity2550
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)CCN(C)C(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCC(=O)O)C)\C)OC)(NC(=O)O2)O
InChI
InChI=1S/C61H86ClN9O18/c1-34(2)52(67-47(72)19-12-13-20-50(75)76)55(78)66-41(17-15-26-64-57(63)80)54(77)65-40-23-21-38(22-24-40)33-86-59(82)69(7)27-25-48(73)70(8)37(5)56(79)88-46-31-49(74)71(9)42-29-39(30-43(84-10)51(42)62)28-35(3)16-14-18-45(85-11)61(83)32-44(87-58(81)68-61)36(4)53-60(46,6)89-53/h14,16,18,21-24,29-30,34,36-37,41,44-46,52-53,83H,12-13,15,17,19-20,25-28,31-33H2,1-11H3,(H,65,77)(H,66,78)(H,67,72)(H,68,81)(H,75,76)(H3,63,64,80)/b18-14+,35-16+/t36-,37+,41+,44+,45-,46+,52+,53+,60+,61+/m1/s1
InChIKey
GRLCEEKLAJSCQZ-GZOBIGBUSA-N
Chemical Structure
2D Structure
2D structure of Maytansine derivative M24
CAS: 2226467-81-6
CID: 134510404
Formula: C61H86ClN9O18
MW: 1268.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1268.8
XLogP32.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count27
Exact Mass1267.5779346
Monoisotopic Mass1267.5779346
Topological Polar Surface Area366 Ų
Heavy Atom Count89
Formal Charge0
Complexity2550
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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