ACLARUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H53NO15.ClH
Molecular Weight	848.329
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]1(CCC(=O)[C@H](C)O1)O[C@H]2[C@@H](O)C[C@]([H])(O[C@@H]3[C@H](C)O[C@]([H])(C[C@@H]3N(C)C)O[C@H]4C[C@](O)(CC)[C@H](C(=O)OC)C5=CC6=C(C(=O)C7=C(O)C=CC=C7C6=O)C(O)=C45)O[C@H]2C

InChI

InChIKey=KUSMIBXCRZTVML-PCCPLWKKSA-N

InChI=1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C42H53NO15
Molecular Weight	811.8679
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.toku-e.com/product/aclarubicin_hydrochloride/
Curator's Comment: description was created based on several sources, including: http://www.druginfosys.com/Drug.aspx?drugCode=29&drugName=Aclarubicin%20(HCl)&type=8

Aclarubicin (INN) or aclacinomycin A is an anthracycline drug is primarily indicated in conditions like Acute non-lymphoblastic leukemia, Breast cancer, Gastric cancer, Lymphoma, Ovarian coma, Small cell lung cancer, Thyroid cancer. Soil bacteria Streptomyces galilaeus can produce aclarubicin. Aclarubicin (HCl) is used in combination with different anticancerous drugs to obtain best therapeutic results and to reduce toxicity or side effects. Aclarubicin (HCl) is administered intravenously. Aclarubicin is antagonistic to other agents that inhibit topoisomerase II, such as etoposide, teniposide and amsacrine. This agent is less cardiotoxic than doxorubicin and daunorubicin.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
DNA topoisomerase II 66 Target ID: CHEMBL2094255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23533247	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Small-cell lung cancer 41 Sources: http://www.ncbi.nlm.nih.gov/pubmed/1321008	Primary	Phase II 1132	Unknown Approved Use Unknown
Thyroid cancer 16 Sources: http://www.ncbi.nlm.nih.gov/pubmed/3181249	Primary	Phase II 1132	Unknown Approved Use Unknown
Lymphoma 58 Sources: http://www.ncbi.nlm.nih.gov/pubmed/3867405	Primary	Phase II 1132	Unknown Approved Use Unknown
Gastrointestinal adenocarcinoma 2 Sources: http://www.ncbi.nlm.nih.gov/pubmed/2206579	Primary	Phase I 428	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
[Torsade de pointes ventricular tachycardia in a patient with acute myelocytic leukemia].	1991 Sep	1942537
Oxidative stress involvement in chemically induced differentiation of K562 cells.	2000 Jan 1	10656287
Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2.	2011 Jul 14	21599003

Patents

Sample Use Guides

In Vivo Use Guide

25 to 100 mg/sq.meter. Maintenance, Every 3-4 Week

Route of Administration: Intravenous

In Vitro Use Guide

aclarubicin (ACR) blocked the human lymphocytes progression at G1 period at the concentrations of 100 and 200 ng/ml, but the number of dead cells was not increased.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:16:26 UTC 2023` Edited by `admin` on `Fri Dec 15 15:16:26 UTC 2023`
Record UNII	501948RI66
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACLARUBICIN HYDROCHLORIDE

Common Name

English

ACLARUBICIN HYDROCHLORIDE [MART.]

Common Name

English

Aclarubicin hydrochloride [WHO-DD]

Common Name

English

ACLARUBICIN HYDROCHLORIDE [JAN]

Common Name

English

ACLACINOMYCIN A HYDROCHLORIDE

Common Name

English

ACLARUBICIN HCL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C987