aclarubicin

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Artiklit veel pole, kuid saad aidata seda luua.

keemiline ühend

Välised allikad

CAS Registry Number	57576-44-0^[1]^[2]
Microsoft Academic ID	2780847677
PubChem CID	42474 451415^[3] 86289437^[3]
DSSTOX compound identifier	DTXCID302554
UniChem compound ID	59207170^[4]
KEGG ID	D02756
NSC number	208734
OpenAlex ID	C2780847677^[5]
ChEMBL ID	CHEMBL1697719
Natural Product Atlas ID	NPA020121^[6]^[3]
InChIKey	USZYSDMBJDPRIF-SVEJIMAYSA-N^[1]^[7]
DrugBank ID	DB11617^[3]
ChEBI ID	74619 mapping relation type: täpne vaste
InChI	InChI=1S/C42H53NO15/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/t18-,19-,20-,24?,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1^[8]
SureChEMBL ID	SCHEMBL4532^[6]^[3]
MeSH tree code	D02.455.426.559.847.562.050.050 D04.615.562.050.050 D09.408.051.059.050
ECHA Substance Infocard ID	100.055.277^[9]
ChemSpider ID	1931
EC number	260-824-3^[1]
RxNorm ID	239^[1]
MeSH descriptor ID	D015250 teema nimetus kujul: Aclarubicin
DSSTox substance ID	DTXSID1022554^[10]^[3]
Freebase	/m/04f623y
ATC code	L01DB04
Probes And Drugs ID	PD013828
UNII	74KXF8I502^[1]^[3]

üksikjuht nähtusest

type of chemical entity

mille alamklass

methyl (1R,2R,4S)-4-[(2R,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate^[11]

kasutus

ravim

keemiline struktuur

mass/kaal

811,341519996 aatommassiühik^[11]

stereoisomer of

Methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxy late^[6]

chemical formula

C₄₂H₅₃NO₁₅^[8]

canonical SMILES

CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O^[8]

isomeric SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C5=C(C=C6C(=O)C7=C(C(O)=CC=C7)C(=O)C6=C5O)[C@H]1C(=O)OC^[1]

found in taxon

Streptomyces galilaeus^[12]^[13]^[14]^[15]^[16]^[17]

Micromonospora^[18]

subjektil on roll

antineoplastic antibiotics^[19]

topoisomerase II inhibitor^[19]

NCI Thesaurus ID

C202^[1]

Viited

↑ ^1,0 ^1,1 ^1,2 ^1,3 ^1,4 ^1,5 ^1,6 Global Substance Registration System, 14. veebruar 2018, 74KXF8I502
↑ CAS Common Chemistry, 10. aprill 2021, USZYSDMBJDPRIF-SVEJIMAYSA-N, https://commonchemistry.cas.org/detail?cas_rn=57576-44-0
↑ ^3,0 ^3,1 ^3,2 ^3,3 ^3,4 ^3,5 ^3,6 USZYSDMBJDPRIF-SVEJIMAYSA-N, InChIKey
↑ UniChem
↑ OpenAlex, 26. jaanuar 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
↑ ^6,0 ^6,1 ^6,2 inferred from InChIKey
↑ ChEBI release 2020-09-01
↑ ^8,0 ^8,1 ^8,2 PubChem
↑ ECHA Substance Infocard database, 27. detsember 2018, 100.055.277, Aclarubicin, CAS no.: 57576-44-0
↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
↑ ^11,0 ^11,1 inferred from SMILES
↑ New anthracycline metabolites from mutant strains of Streptomyces galilaeus MA144-M1. I. Isolation and characterization of various blocked mutants
↑ 5001112 Antitumor antibiotic kedarcidin
↑ Antitumor anthracycline antibiotics, aclacinomycin A and analogues. II. Structural determination
↑ Cloning and characterization of Streptomyces galilaeus aclacinomycins polyketide synthase (PKS) cluster
↑ A gene cluster from Streptomyces galilaeus involved in glycosylation of aclarubicin
↑ Expression, purification, and characterization of AknX anthrone oxygenase, which is involved in aklavinone biosynthesis in Streptomyces galilaeus
↑ Antifungal anthracycline antibiotics, spartanamicins A and B from Micromonospora spp
↑ ^19,0 ^19,1 Medical Subject Headings, 15. märts 2018, D015250

[r74da310c-1] 1,0 ^1,1 ^1,2 ^1,3 ^1,4 ^1,5 ^1,6 Global Substance Registration System, 14. veebruar 2018, 74KXF8I502

[rde922bb5-2] CAS Common Chemistry, 10. aprill 2021, USZYSDMBJDPRIF-SVEJIMAYSA-N, https://commonchemistry.cas.org/detail?cas_rn=57576-44-0

[r5994c195-3] 3,0 ^3,1 ^3,2 ^3,3 ^3,4 ^3,5 ^3,6 USZYSDMBJDPRIF-SVEJIMAYSA-N, InChIKey

[rb4997d09-4] UniChem

[rfcd831de-5] OpenAlex, 26. jaanuar 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format

[r2758fec3-6] 6,0 ^6,1 ^6,2 inferred from InChIKey

[rdb8780da-7] ChEBI release 2020-09-01

[r4abfb443-8] 8,0 ^8,1 ^8,2 PubChem

[rac01838b-9] ECHA Substance Infocard database, 27. detsember 2018, 100.055.277, Aclarubicin, CAS no.: 57576-44-0

[r76075370-10] Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

[r2e18fda9-11] 11,0 ^11,1 inferred from SMILES

[rd64b7c1d-12] New anthracycline metabolites from mutant strains of Streptomyces galilaeus MA144-M1. I. Isolation and characterization of various blocked mutants

[r7e3ae46b-13] 5001112 Antitumor antibiotic kedarcidin

[re2f0eff7-14] Antitumor anthracycline antibiotics, aclacinomycin A and analogues. II. Structural determination

[raf6a0508-15] Cloning and characterization of Streptomyces galilaeus aclacinomycins polyketide synthase (PKS) cluster

[r6614f55c-16] A gene cluster from Streptomyces galilaeus involved in glycosylation of aclarubicin

[r1a759aa2-17] Expression, purification, and characterization of AknX anthrone oxygenase, which is involved in aklavinone biosynthesis in Streptomyces galilaeus

[rbf9540f9-18] Antifungal anthracycline antibiotics, spartanamicins A and B from Micromonospora spp

[r00a000a1-19] 19,0 ^19,1 Medical Subject Headings, 15. märts 2018, D015250

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