Anhydrotetracycline Hydrochloride

Modify Date: 2024-01-02 13:20:13

Anhydrotetracycline Hydrochloride Structure
Anhydrotetracycline Hydrochloride structure
Common Name Anhydrotetracycline Hydrochloride
CAS Number 13803-65-1 Molecular Weight 462.880
Density N/A Boiling Point 618.6ºC at 760 mmHg
Molecular Formula C22H23ClN2O7 Melting Point 222.8ºC
MSDS USA Flash Point 327.9ºC

 Use of Anhydrotetracycline Hydrochloride


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].

 Names

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
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

 MSDS

Name: Anhydrotetracycline Hydrochloride "can be used as Secondary Material Safety Data Sheet
Synonym: None
CAS: 13803-65-1
Section 1 - Chemical Product MSDS Name:Anhydrotetracycline Hydrochloride "can be used as Secondary Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13803-65-1 Anhydrotetracycline Hydrochloride 100 unlisted
Hazard Symbols: XN
Risk Phrases: 63

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Possible risk of harm to the unborn child.Light sensitive.Moisture sensitive.Air sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Store protected from air. Keep from contact with moist air and steam.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Store in a dry area. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13803-65-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 223 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: > 223 deg C
Solubility in water: in water: 1:200 m/v
Specific Gravity/Density:
Molecular Formula: C22H22N2O7.HCl
Molecular Weight: 464.89

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, moisture, exposure to air, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13803-65-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Anhydrotetracycline Hydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 63 Possible risk of harm to the unborn child.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 13803-65-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13803-65-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13803-65-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn
Risk Phrases R63
Safety Phrases S36/37/39
RIDADR NONH for all modes of transport
HS Code 1702190000

 Synthetic Route

~%

Anhydrotetracycline Hydrochloride Structure

Anhydrotetracyc...

CAS#:13803-65-1

Literature: Journal of the American Chemical Society, , vol. 79, p. 2849,2856

 Precursor & DownStream

Precursor  1

DownStream  1

 Customs

HS Code 1702190000

 Articles30

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 Synonyms

(4S,4aS,12aS)-4-(DiMethylaMino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-Methyl-1,12-dioxo-2-naphthacenecarboxaMide Hydrochloride
(4S,4aS,12aS)-4-(Dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide hydrochloride (1:1)
Anhydrotetracycline hydrochloride,'can be used as secondary standard.'
(4S,4AS,12AS)-4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-2-NAPHTHACENECARBOXAMIDE MONOHYDROCHLORIDE
(4aS)-4c-Dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-(4ar,12ac)-1,4,4a,5,12,12a-hexahydro-naphthacen-2-carbonsaeure-amid,Hydrochlorid
Anhydrotetracycline hydrochloride,‘can be used as a secondary standard‘
5A,6-ANHYDROTETRACYCLINEHYDROCHLORIDE
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4S,4aS,12aS)-, hydrochloride (1:1)
Anhydrotetracycline hydrochloride
2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,monohydrochloride,(4S,4aS,12aS)
AnhydrotetracyclineHCl
Anhydrotetracycline hydrochloride,'can be used as a secondary standard'
(4aS)-4c-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-(4ar,12ac)-1,4,4a,5,12,12a-hexahydro-naphthacene-2-carboxylic acid amide,hydrochloride
MFCD00151453