Physicochemical Properties
Molecular Formula | C42H55CLN4O12 |
Molecular Weight | 843.358711481094 |
Exact Mass | 842.35 |
Elemental Analysis | C, 59.82; H, 6.57; Cl, 4.20; N, 6.64; O, 22.76 |
CAS # | 1375089-56-7 |
PubChem CID | 76072941 |
Appearance | White to off-white solid powder |
LogP | 2.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 12 |
Heavy Atom Count | 59 |
Complexity | 1690 |
Defined Atom Stereocenter Count | 8 |
SMILES | ClC1C(=CC2CC(C)=CC=C[C@H]([C@]3(C[C@@H]([C@@H](C)[C@H]4[C@](C)([C@H](CC(N(C)C=1C=2)=O)OC([C@H](C)N(C(CCCCCN1C(C=CC1=O)=O)=O)C)=O)O4)OC(N3)=O)O)OC)OC |c:7,9| |
InChi Key | GBPANNIQRLRII-RJPAQOSPSA-N |
InChi Code | InChI=1S/C42H55ClN4O12/c1-24-13-12-14-31(56-8)42(54)23-30(57-40(53)44-42)25(2)38-41(4,59-38)32(22-36(51)46(6)28-20-27(19-24)21-29(55-7)37(28)43)58-39(52)26(3)45(5)33(48)15-10-9-11-18-47-34(49)16-17-35(47)50/h12-14,16-17,20-21,25-26,30-32,38,54H,9-11,15,18-19,22-23H2,1-8H3,(H,44,53)/b14-12+,24-13+/t25-,26+,30+,31-,32+,38+,41+,42+/m1/s1 |
Chemical Name | (14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate |
Synonyms | MC-DM1; MC DM1; MCDM1; Maytansine, N2′-deacetyl-N2′-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-; |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
Targets | Maytansinoids |
References |
[1]. Site-specific and hydrophilic ADCs through disulfide-bridged linker and branched PEG. Bioorg Med Chem Lett. 2018 May 1;28(8):1363-1370. |
Solubility Data
Solubility (In Vitro) | DMSO : 220 mg/mL (260.86 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.5 mg/mL (6.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.1857 mL | 5.9287 mL | 11.8573 mL | |
5 mM | 0.2371 mL | 1.1857 mL | 2.3715 mL | |
10 mM | 0.1186 mL | 0.5929 mL | 1.1857 mL |