Maytansine derivative M24

CAT: 0013-GTR19249859-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19249859-01Size:50 mg

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Description

M24 is a maytansine-based drug-linker conjugate utilized in the construction of the antibody-drug conjugate REGN5093-M114. This ADC is designed for targeted cancer therapy research, with applications in both in vitro and in vivo studies for evaluating efficacy against specific malignancies.

CAS Number

2226467-81-6

Smiles

C[C@]12[C@@] (O1) ([C@H] (C) [C@@]3 (C[C@] (O) ([C@H] (OC) /C=C/C=C (\C) /CC4=CC (N (C) C (=O) C[C@@H]2OC ([C@@H] (N (C (CCN (C (OCC5=CC=C (NC ([C@@H] (NC ([C@@H] (NC (CCCCC (O) =O) =O) [C@@H] (C) C) =O) CCCNC (N) =O) =O) C=C5) =O) C) =O) C) C) =O) =C (Cl) C (OC) =C4) NC (=O) O3) [H]) [H]

Molecular Formula

C61H86ClN9O18

Molecular Weight

1268.84

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Maytansine derivative M24

CAS Number	2226467-81-6
PubChem CID	134510404
IUPAC Name	6-[[(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 Formula	C61H86ClN9O18
Molecular Weight	1268.8
XLogP	2.2
Topological Polar Surface Area	366
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	27
Heavy Atom Count	89
Formal Charge	0
Complexity	2550

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

CAS: 2226467-81-6

CID: 134510404

Formula: C61H86ClN9O18

MW: 1268.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1268.8
XLogP3	2.2
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	27
Exact Mass	1267.5779346
Monoisotopic Mass	1267.5779346
Topological Polar Surface Area	366 Å²
Heavy Atom Count	89
Formal Charge	0
Complexity	2550
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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T204803-01	Maytansine derivative M24
454213-01	Maytansine
RM-M312001-01	Maytansine Impurity 1
RM-M312002-01	Maytansine Impurity 2
TN8476-01	Icariin derivative
HY-12690	DOTA derivative
MBS8506352-01	Raf265 derivative

Maytansine derivative M24

Chemical Information

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