DM1-SMe | CAS#138148-68-2 | microtubular inhibitor | ADC

MedKoo Cat#: 407263 | Name: DM1-SMe

Description:

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

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

DM1-SMe

CAS#138148-68-2

Theoretical Analysis

MedKoo Cat#: 407263

Name: DM1-SMe

CAS#: 138148-68-2

Chemical Formula: C36H50ClN3O10S2

Exact Mass: 783.2626

Molecular Weight: 784.38

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
1mg	USD 90.00	Ready to ship
5mg	USD 150.00	Ready to ship
10mg	USD 250.00	Ready to ship
25mg	USD 550.00	Ready to ship
50mg	USD 950.00	Ready to ship
100mg	USD 1,650.00	Ready to ship

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Related CAS #

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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

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#B8B02C28

QC Data

View QC data: current batch, Lot#B8B02C28

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

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

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

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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:

In vivo protocol:

TBD

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.