CAS 1665-56-1|Anhydrotetracyclin

Introduction：Basic information about CAS 1665-56-1|Anhydrotetracyclin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Anhydrotetracyclin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Synonyms

Common Name	Anhydrotetracyclin
CAS Number	1665-56-1	Molecular Weight	426.41900
Density	1.6 g/cm3	Boiling Point	618.6ºC at 760 mmHg
Molecular Formula	C₂₂H₂₂N₂O₇	Melting Point	/
MSDS	/	Flash Point	327.9ºC

Names

Name	(4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
Synonym	More Synonyms

Anhydrotetracyclin BiologicalActivity

Description	Anhydrotetracycline shows dose-dependent and potent inhibition of tetracycline destructases in vitro[1].
Related Catalog	Research Areas >>Infection
Target	Tetracycline inactivating enzyme[1]
In Vitro	体外实验表明，Anhydrotetracycline (0.1 μM-10 mM) 对四环素破坏酶具有剂量依赖性和强抑制作用[1]。
References	[1]. Markley JL, 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

Density	1.6 g/cm3
Boiling Point	618.6ºC at 760 mmHg
Molecular Formula	C₂₂H₂₂N₂O₇
Molecular Weight	426.41900
Flash Point	327.9ºC
Exact Mass	426.14300
PSA	161.39000
LogP	1.15610
Vapour Pressure	3.66E-16mmHg at 25°C
Index of Refraction	1.76
InChIKey	KTTKGQINVKPHLY-DOCRCCHOSA-N
SMILES	Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C1C2

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QI9277520

CHEMICAL NAME :: 2-Naphthacenecarboxamide, 1,4,4a,5,12,12a-hexahydro-4-(dimethylamino)-1,12-diox o-6-methyl- 3,10,11,12a-tetrahydroxy-, (4S-(4-alpha,4a-alpha,12a-alpha))-

CAS REGISTRY NUMBER :: 1665-56-1

LAST UPDATED :: 199009

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C22-H22-N2-O7

MOLECULAR WEIGHT :: 426.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 134 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 34 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Rodent - mouse Ascites tumor

DOSE/DURATION :: 20 mg/L

REFERENCE :: EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 30,403,1974

Safety Information

Hazard Codes	T

Synonyms

5a,6-Anhydrotetracycline

Anhydrotetracyclin

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