(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1) | CAS No. 57852-57-0

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1)

Basic Information

CAS Number

57852-57-0

Molecular Formula

C26H28ClNO9

Molecular Weight

533.96 g/mol

AD

Basic Physical Properties

Melting Point

183-185 C

Specific Rotation

D20 +205° (c = 0.1 in methanol) (Arcamone); D20 +188° (c = 0.10 in methanol) (Kimura)

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O.Cl

InChI

InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1

InChIKey

JVHPTYWUBOQMBP-RVFAQHLVSA-N

LogP

1.4421

Topological Polar Surface Area

176.60999999999999 Ų

Hydrogen Bond Donor/Acceptor

6 / 10

Safety Information

View Safety Information

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral
H351 Suspected of causing cancer
Carcinogenicity
H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • Idarubicin Hydrochloride
  • IDARUBICIN HCL
  • 4-demethoxy-daunomycihydrochloride
  • 4-demethoxydaunorubicinhydrochloride
  • (7s-cis)-9-acetyl-7-[(3-amino-2,3,6-trideoxy-α-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione
  • 4-DMD HCl
  • 5,12-Naphthacenedione, 9-acetyl-7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, hydrochloride, (7S,9S)-
  • 5,12-Naphthacenedione, 9-acetyl-7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, hydrochloride, (7S-cis)
  • Idarubicin (hydrochloride)
  • 4-DMD
  • 4-demethoxydaunomycin hydrochloride
  • Idarubicin HCL for research
  • Idarubicin hcl USP
  • Zavedos
  • (7S-cis)-9-Acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione hydrochloride
  • Idarubicin hydrochloride

MDL Number

MFCD00897212

FAQ

What is (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1) (CAS: 57852-57-0)?

This compound, with the CAS number 57852-57-0, is a complex glycoside containing a tetracyclic core and multiple hydroxyl, amino, and acetyl groups. It is a hexahydroxy derivative of a tetracene structure, making it relevant in pharmaceutical and biochemical research. Its molecular formula is C23H32N2O13·HCl, and it is typically a white to off-white crystalline solid with good solubility in polar solvents.

What are the main uses of (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1) (CAS: 57852-57-0)?

This compound is primarily used in pharmaceutical research for its potential biological activities, including antimicrobial and anti-inflammatory properties. It also finds applications in biochemical studies related to natural products and drug development. Its unique structure makes it a valuable compound for exploring new therapeutic agents and understanding glycosidic interactions.

Is (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1) (CAS: 57852-57-0) safe?

Safety data for this compound is limited, but it is generally considered safe when handled properly in controlled laboratory environments. As with any chemical, it should be used with appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow standard safety protocols for handling organic compounds and consult safety data sheets (SDS) for detailed information.

How should (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1) (CAS: 57852-57-0) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container with desiccant. Avoid exposure to air and maintain stable conditions to preserve its chemical integrity and biological activity.

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