Anhydrotetracyclin

Modify Date: 2026-07-27 13:54:21

Anhydrotetracyclin Structure
Anhydrotetracyclin structure
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 N/A
MSDS N/A Flash Point 327.9ºC

 Use of Anhydrotetracyclin


Anhydrotetracycline shows dose-dependent and potent inhibition of tetracycline destructases in vitro[1].

Summary: Dehydrated Difieroxycycline, also known as Anhydrotetracyclin, has a CAS number of 1665-56-1, with a molecular formula of C22H22N2O7 and a molecular weight of 426.41900. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

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 Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Anhydrotetracycline shows dose-dependent and potent inhibition of tetracycline destructases in vitro[1].
Related Catalog
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

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes T

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  0

DownStream  1

 AnhydrotetracyclinBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Transactivation of Reverse transactivator Tet repressor-S3 SL439, FG442, SL444 and FA...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1219003
Name: Inhibition of Dicer mediated biotinylated pre-miRNA-21 (unknown origin) maturation at...
Source: ChEMBL
Target: microRNA 21
External Id: CHEMBL4364428
Total 2, Current Page 1 of 1
1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

5a,6-Anhydrotetracycline
Anhydrotetracyclin

 Anhydrotetracyclin | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: Boiling point of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is 618.6ºC at 760 mmHg.
Q: What is the InChIKey of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: InChIKey of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is KTTKGQINVKPHLY-DOCRCCHOSA-N.
Q: What are the downstream products of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: Related downstream products(CAS) of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide: 60-54-8.
Q: What is the LogP of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: LogP of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is 1.15610.
Q: What is the English name of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: The English name of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide.
Q: What English synonyms does (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide have?
A: English synonyms of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide: 5a,6-Anhydrotetracycline, Anhydrotetracyclin.
Q: What is the SMILES notation of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: SMILES notation of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C1C2.
Q: What is the polar surface area (PSA) of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: Polar surface area (PSA) of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is 161.39000.
Q: What is the CAS number of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: CAS number of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is 1665-56-1.
Q: What is the molecular formula of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide?
A: Molecular formula of (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide is C22H22N2O7.

 Anhydrotetracyclinfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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