Mitomycin A , CAS No.4055-39-4

CAS: 4055-39-4 Cat. No.: M335780 Molecular Weight: 349.34

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Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Mitomycin A is the 6-methoxy analog of Mitomycin C which possesses antitumor and antibiotic properties.

Specifications

Synonyms

Azirino(2', 3':3, 4)pyrrolo(1, 2-a)indole-4, 7-dione, 1, 1a, 2, 8, 8a, 8b-hexahydro-8-(hydroxymethyl)-6, 8a-dimethoxy-5-methyl-, carbamate (ester) | MITOMYCIN A [MI] | MitomycinA | Q22252148 | NSC 75986 | [(1as, 8s, 8ar, 8bs)-6, 8a-Dimethoxy-5-Methyl-4, 7-Dioxo-1, 1a, 2, 4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

pKa	pKₐ: 13.27 (Predicted), pKₐ: 5 (Predicted)

Names and Identifiers

Canonical Smiles	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OC
IUPAC Name	[(4S,6S,7R,8S)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
InChIKey	HYFMSAFINFJTFH-NGSRAFSJSA-N
INCHI	1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1
Isomeric SMILES	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC
RTECS	CN1050000
Molecular Weight	349.34
Reaxy-Rn	768457
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=768457&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolequinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolequinones
Intermediate Tree Nodes	Not available
Direct Parent	Mitomycins, mitosane and mitosene derivatives
Alternative Parents	Indoles Quinones Pyrrolizines Piperazines Vinylogous esters Vinylogous amides Pyrrolines Pyrrolidines Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Aziridines Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Mitosane core - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Vinylogous ester - Carbonic acid derivative - Ketone - Secondary amine - Aziridine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as mitomycins, mitosane and mitosene derivatives. These are a group of pyrroloindolediones, which carry a methyl group at the 6-position of their quinone moiety. The mitosane (containing an aziridine) and mitosene server as backbone for mitomycins and their derivatives.
External Descriptors	ether - mitomycin
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

3D Structure

Associated Targets(Human)

HCT-8 (3484 Activities)

Solubility	Soluble in methanol, chloroform, Benzene, water, and toluene.
Refractive Index	n20D1.64 (Predicted)
Boil Point(°C)	~587.4° C at 760 mmHg (Predicted)
Melt Point(°C)	159-161° C (dec.)
Molecular Weight	349.340 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	349.127 Da
Monoisotopic Mass	349.127 Da
Topological Polar Surface Area	130.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	772.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1