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Anhydrotetracycline HCl structure, CAS 13803-65-1

Anhydrotetracycline HCl

CAS Number13803-65-1

Synonyms5A,6-ANHYDROTETRACYCLINEHYDROCHLORIDE; Anhydrotetracycline hydrochloride; AnhydrotetracyclineHCl; MFCD00151453

Molecular FormulaC22H23ClN2O7

Molecular Weight462.88

Purity

Density

Boiling Point618.6ºC at 760 mmHg

Melting Point222.8ºC

Flash Point

AppearanceLight yellow to yellow to orange to brown powder

EINECS

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Symbol

Signal Word

Cat. No.: 2A-3178444 Purity:
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Quality Control of [ 13803-65-1 ] SDS Specification MoL

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Chemical & Physical Properties
CAS Number13803-65-1
Catalog No.2A-3178444
Chinese Name盐酸脱水四环素
Synonyms5A,6-ANHYDROTETRACYCLINEHYDROCHLORIDE; Anhydrotetracycline hydrochloride; AnhydrotetracyclineHCl; MFCD00151453
Molecular FormulaC22H23ClN2O7
Molecular Weight462.88
Boiling Point618.6ºC at 760 mmHg
Melting Point222.8ºC
AppearanceLight yellow to yellow to orange to brown powder
Storage ConditionSealed in a cool, dry environment
ApplicationAnhydrotetracycline hydrochloride is the precursor of tetracycline biosynthesis and an effective competitive broad-spectrum tetracycline-destroying enzyme inhibitor. Anhydrotetracycline hydrochloride
HTC1702190000
PubChem ID329755727
MDL NumberMFCD00151453
SMILESCl[H].[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
InChI1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16-,22-;/m0./s1
InChI KeyXBSQEFHDCDFNJU-WPJNXPDPSA-N
Beilstein/REAXYS4228856
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/179086_1_13803_65_1.pdf
BioactivityAnhydrotetracycline hydrochloride, a tetracycline biosynthetic precursor, is a potent competitive broad-spectrum tetracycline destructase enzymes inhibitor. Anhydrotetracycline hydrochloride is an effector for tetracycline controlled gene expression systems in eukaryotic cells[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial In Vitro Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=3 μM) degradations of tetracyclines. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=75 μM), Tet(X)_3 (IC50=26 μM) degradations of chlortetracycline. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=120 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=7 μM) degradations of demeclocycline[1]. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=3 μM) degradations of tetracyclines. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=75 μM), Tet(X)_3 (IC50=26 μM) degradations of chlortetracycline. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=120 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=7 μM) degradations of demeclocycline[1]. References [1]. Jana L Markley, et al. Semisynthetic Analogues of Anhydrotetracycline as Inhibitors of Tetracycline Destructase Enzymes. ACS Infect Dis. 2019 Apr 12;5(4):618-633. Chemical & Physical Properties Boiling Point 618.6ºC at 760 mmHg Melting Point 222.8ºC Molecular Formula C22H23ClN2O7 Molecular Weight 462.880 Flash Point 327.9ºC Exact Mass 462.119385 PSA 161.39000 LogP 1.95810 Vapour Pressure 3.66E-16mmHg at 25°C InChIKey SPFAOPCHYIJPHJ-WPJNXPDPSA-N SMILES CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl
Use ofAnhydrotetracycline hydrochloride, a tetracycline biosynthetic precursor, is a potent competitive broad-spectrum tetracycline destructase enzymes inhibitor. Anhydrotetracycline hydrochloride is an effector for tetracycline controlled gene expression systems in eukaryotic cells[1]. Properties Articles30 Name anhydrotetracycline hydrochloride Synonym More Synonyms Anhydrotetracycline Hydrochloride Biological Activity Description Anhydrotetracycline hydrochloride, a tetracycline biosynthetic precursor, is a potent competitive broad-spectrum tetracycline destructase enzymes inhibitor. Anhydrotetracycline hydrochloride is an effector for tetracycline controlled gene expression systems in eukaryotic cells[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial In Vitro Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=3 μM) degradations of tetracyclines. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=75 μM), Tet(X)_3 (IC50=26 μM) degradations of chlortetracycline. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=120 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=7 μM) degradations of demeclocycline[1]. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=3 μM) degradations of tetracyclines. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=210 μM),Tet(X) (IC50=75 μM), Tet(X)_3 (IC50=26 μM) degradations of chlortetracycline. Anhydrotetracycline hydrochloride inhibits Tet(50) (IC50=120 μM),Tet(X) (IC50=41 μM), Tet(X)_3 (IC50=7 μM) degradations of demeclocycline[1]. References [1]. Jana L Markley, et al. Semisynthetic Analogues of Anhydrotetracycline as Inhibitors of Tetracycline Destructase Enzymes. ACS Infect Dis. 2019 Apr 12;5(4):618-633. Chemical & Physical Properties Exact Mass 462.119385 PSA 161.39000 LogP 1.95810 InChIKey SPFAOPCHYIJPHJ-WPJNXPDPSA-N
Transport InfoProduct name: Anhydrotetracycline hydrochloride
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