DM1-SMe
new
featured

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407263

CAS#: 138148-68-2

Description: DM1-SMe is a potent maytansinoid microtubular inhibitor and an unconjugated DM1 as a mixed disulfide with thiomethane to cap its sulfhydryl group. DM1-SMe can be readily conjugate to the SH group of an antibody to form antibody-drug conjugate (ADC).

Chemical Structure

img
DM1-SMe
CAS# 138148-68-2
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407263
Name: DM1-SMe
CAS#: 138148-68-2
Chemical Formula: C36H50ClN3O10S2
Exact Mass: 783.26
Molecular Weight: 784.377
Elemental Analysis: C, 55.13; H, 6.43; Cl, 4.52; N, 5.36; O, 20.40; S, 8.17

Price and Availability

Size Price Availability Quantity
1mg USD 90 Ready to ship
5mg USD 150 Ready to ship
10mg USD 250 Ready to ship
25mg USD 550 Ready to ship
50mg USD 950 Ready to ship
100mg USD 1650 Ready to ship
Bulk inquiry

Synonym: DM1-SMe; DM1-SSMe; SMe-DM4,; maytansinoid derivative with ADC linker. Maytansine or mertansine or emtansine derivative; N2'-deacetyl-N2'-[3-(methyldithio)-1-oxopropyl]maytansine.

IUPAC/Chemical Name: N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine

InChi Key: ZLUUPZXOPGORNG-CXGJBNANSA-N

InChi Code: InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10-,20-11+/t21-,22+,26+,27-,28-,32?,35+,36+/m1/s1

SMILES Code: C[C@@H]1[C@@H]2C[C@](NC(O2)=O)(O)[C@H](OC)/C=C\C=C(C)\CC3=CC(N(C)C(C[C@@H](OC([C@@H](N(C(CCSSC)=O)C)C)=O)[C@@]4(C)C1O4)=O)=C(Cl)C(OC)=C3

Appearance: White to off-white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target: DM1-SMe is a maytansinoid microtubular inhibitor.
In vitro activity: DM1-SMe was tested against the PPTP's (pediatric preclinical testing program) in vitro cell line panel at concentrations ranging from 0.01 nM to 0.1 μM and 0.3 pM to 3 nM, respectively, using the PPTP's standard 96 hour exposure period. The median rIC50 for DM1-SMe was 0.06 nM, respectively (Table I). The neuroblastoma panel showed significantly higher rIC50 values compared to non-neuroblastoma cell lines for DM1-SMe (2.5 nM and 0.039 nM, respectively). Reference: Pediatr Blood Cancer. 2013 Nov;60(11):1860-7. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4260400/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 12.0 15.30
DMF 16.0 20.40
DMF:PBS (pH 7.2) (1:5) 0.2 0.20

Preparing Stock Solutions

The following data is based on the product molecular weight 784.38 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Wood AC, Maris JM, Gorlick R, Kolb EA, Keir ST, Reynolds CP, Kang MH, Wu J, Kurmasheva RT, Whiteman K, Houghton PJ, Smith MA. Initial testing (Stage 1) of the antibody-maytansinoid conjugate, IMGN901 (Lorvotuzumab mertansine), by the pediatric preclinical testing program. Pediatr Blood Cancer. 2013 Nov;60(11):1860-7. doi: 10.1002/pbc.24647. Epub 2013 Jun 24. PMID: 23798344; PMCID: PMC4260400.
In vitro protocol: 1. Wood AC, Maris JM, Gorlick R, Kolb EA, Keir ST, Reynolds CP, Kang MH, Wu J, Kurmasheva RT, Whiteman K, Houghton PJ, Smith MA. Initial testing (Stage 1) of the antibody-maytansinoid conjugate, IMGN901 (Lorvotuzumab mertansine), by the pediatric preclinical testing program. Pediatr Blood Cancer. 2013 Nov;60(11):1860-7. doi: 10.1002/pbc.24647. Epub 2013 Jun 24. PMID: 23798344; PMCID: PMC4260400.
In vivo protocol: TBD

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Wood AC, Maris JM, Gorlick R, Kolb EA, Keir ST, Reynolds CP, Kang MH, Wu J, Kurmasheva RT, Whiteman K, Houghton PJ, Smith MA. Initial testing (Stage 1) of the antibody-maytansinoid conjugate, IMGN901 (Lorvotuzumab mertansine), by the pediatric preclinical testing program. Pediatr Blood Cancer. 2013 Nov;60(11):1860-7. doi: 10.1002/pbc.24647. Epub 2013 Jun 24. PubMed PMID: 23798344; PubMed Central PMCID: PMC4260400.