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Mertansine (DM1 Compound) - 98%, high purity , CAS No.139504-50-0

COA

Grade & Purity:

≥98%

Cas Number: 139504-50-0
Molecular Weight: 738.29
PubChem CID: 11343137
PubChem SID: 504766316

In stock

Item Number

M276427

Grouped product items
SKU	Size	Availability	Price
M276427-2.5mg	2.5mg	2	$62.90
M276427-5mg	5mg	3	$103.90
M276427-10mg	10mg	3	$177.90
M276427-25mg	25mg	2	$267.90
M276427-50mg	50mg	2	$355.90
M276427-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$573.90

Potent microtubule-targeted cytotoxic agent

View related series

ADC Cytotoxin (102) Antibody-drug Conjugate/ADC Related (553) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Cytoskeleton (498) Lipid PEG (395) Microtubule/Tubulin (199)

Basic Description

Synonyms	N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine, L- \| CHEBI:82755 \| DDZ29HGH0E \| Q4515649 \| Mertansine (DM1) \| maytansinoid DM1 \| Mertasine \| [(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-
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Potent microtubule-targeted cytotoxic agent. Induces mitotic arrest. Inhibits microtubule polymerization. Shows antitumor effects in vivo.
Source	Synthetic
Storage Temp	Store at -20°C,Argon charged,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic. Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Macrolactams

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Macrolactams
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Macrolactams
Alternative Parents	Alpha amino acid esters Alanine and derivatives Anisoles Alkyl aryl ethers 1,3-oxazinanes Aryl chlorides Tertiary carboxylic acid amides Carbamate esters Organic carbonic acids and derivatives Lactams Carboxylic acid esters Alkanolamines Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Alkylthiols Dialkyl ethers Epoxides Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid ester - Macrolactam - Alanine or derivatives - Alpha-amino acid or derivatives - Anisole - Alkyl aryl ether - 1,3-oxazinane - Aryl chloride - Aryl halide - Benzenoid - Oxazinane - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Carbonic acid derivative - Alkanolamine - Alkylthiol - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
External Descriptors	carbamate ester - thiol - organic heterotetracyclic compound - organochlorine compound - epoxide - alpha-amino acid ester - maytansinoid
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504766316
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766316
IUPAC Name	[(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] (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
INCHI	InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1
InChIKey	ANZJBCHSOXCCRQ-FKUXLPTCSA-N
Smiles	CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCS)C)C)OC)(NC(=O)O2)O
Isomeric 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)CCS)C)\C)OC)(NC(=O)O2)O
Molecular Weight	738.29
Reaxy-Rn	27377451
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27377451&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
G2410046	Certificate of Analysis	Jul 16, 2024	M276427
A2214488	Certificate of Analysis	Oct 21, 2022	M276427
A2214487	Certificate of Analysis	Oct 21, 2022	M276427
A2214492	Certificate of Analysis	Oct 21, 2022	M276427
A2214436	Certificate of Analysis	Oct 21, 2022	M276427
A2214437	Certificate of Analysis	Oct 21, 2022	M276427
A2214438	Certificate of Analysis	Oct 21, 2022	M276427

Chemical and Physical Properties

Solubility	Slightly soluble in Chloroform and Methanol.
Sensitivity	Moisture sensitive.
Molecular Weight	738.300 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	737.275 Da
Monoisotopic Mass	737.275 Da
Topological Polar Surface Area	157.000 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1340.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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