AburaMycin A, NSC 131187

Basic Information

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CAS Number

6992-70-7

Molecular Formula

C59H86O26

Molecular Weight

1211.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O

InChI

InChI=1S/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27-,28-,29+,33+,34-,36-,37-,38-,39-,40+,41+,42+,43+,47+,48-,49-,53+,54+,55+,56+,57+,59+/m1/s1

InChIKey

WPLCTUHONLQGIX-TWTCTLMISA-N

LogP

2.1825200000000082

Topological Polar Surface Area

359.34000000000003 Å²

Hydrogen Bond Donor/Acceptor

8 / 26

Complexity

2240

Synonyms & References

English

CHEBI:202873
Chromomycin A(sub 2)
6992-70-7
AburaMycin A, NSC 131187
Aburamycin A
AburamycinA
Chromomycinone, 6-(2,6-dideoxy-4-O-(2,6-dideoxy-4-O-methyl-D-lyxo-hexopyranosyl)-D-lyxo-hexopyranoside) 2-(O-2,6-dideoxy-3-C-methyl-L-arabino-hexopyranosyl-(1-3)-O-2,6-dideoxy-D-arabino-hexopyranosyl-(1-3)-2,6-dideoxy-D-arabino-hexopyranoside), monoacetate, isobutyrate
Chromomycin A2
NSC 131187
AKOS030622852
(1S)-1-C-[(2S,3S)-7-{[4-O-acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranosyl)-beta-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-4-O-(2-methylpropanoyl)-alpha-L-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methyl-D-xylulose
YELLOW POWDER

MDL Number

MFCD01745432

FAQ

What regulatory guidelines apply to AburaMycin A (CAS: 6992-70-7)?

AburaMycin A (CAS: 6992-70-7) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), including specific hazard categories such as carcinogen, mutagen, and toxic to aquatic environments. Additionally, it is subject to the European Union’s Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) and may require reporting to the US Environmental Protection Agency (EPA) under the Toxic Substances Control Act (TSCA).

Are there alternatives to AburaMycin A (CAS: 6992-70-7) in synthesis?

Alternative reagents for synthesizing similar compounds include various natural products and semi-synthetic derivatives such as analogous diterpenoids. Isomers and structural analogs like dehydroaburitoxin and related diterpenes can serve as viable alternatives, providing similar biological activities without the specific properties of AburaMycin A (CAS: 6992-70-7).

What is the market or research trend for AburaMycin A (CAS: 6992-70-7)?

The market for AburaMycin A (CAS: 6992-70-7) is currently focused on its potential as an antitumor agent. Research trends indicate ongoing investigations into its mechanisms of action and therapeutic applications, with increasing interest in its use as a lead compound for developing new anticancer drugs. The market is expected to grow as more studies validate its efficacy and safety in clinical settings.

How should waste containing AburaMycin A (CAS: 6992-70-7) be handled?

Waste containing AburaMycin A (CAS: 6992-70-7) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be done in a controlled environment to minimize environmental impact. Environmental protection measures include proper containment to prevent leakage and regular monitoring of the disposal site for any residual contamination. Compliance with local environmental regulations is essential for safe disposal.