7-Chloro-4-(piperazin-1-yl)quinoline

Modify Date: 2024-01-08 19:07:44

7-Chloro-4-(piperazin-1-yl)quinoline structure	Common Name	7-Chloro-4-(piperazin-1-yl)quinoline
	CAS Number	837-52-5	Molecular Weight	247.72300
	Density	1.257 g/cm3	Boiling Point	433.5ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₄ClN₃	Melting Point	113-116ºC
	MSDS	N/A	Flash Point	216ºC

Use of 7-Chloro-4-(piperazin-1-yl)quinoline

7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC50 of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of P. falciparum with IC50s of 1.18 μM and 0.97 μM, respectively[1].

Name	7-Chloro-4-(piperazin-1-yl)quinoline
Synonym	More Synonyms

Description	7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC50 of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of P. falciparum with IC50s of 1.18 μM and 0.97 μM, respectively[1].
Related Catalog	Signaling Pathways >> Epigenetics >> Sirtuin Research Areas >> Infection Signaling Pathways >> Cell Cycle/DNA Damage >> Sirtuin
References	[1]. Aida M Abd El-Sattar El-Azzouny, et al. Structural and biological survey of 7-chloro-4-(piperazin-1-yl)quinoline and its derivatives. Drug Dev Res. 2020 Nov;81(7):786-802.

Density	1.257 g/cm3
Boiling Point	433.5ºC at 760 mmHg
Melting Point	113-116ºC
Molecular Formula	C₁₃H₁₄ClN₃
Molecular Weight	247.72300
Flash Point	216ºC
Exact Mass	247.08800
PSA	28.16000
LogP	2.69160
Index of Refraction	1.636
Storage condition	2-8°C

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 7-Chloro-4-piperazin-1-yl-quinoline
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:7-Chloro-4-piperazin-1-yl-quinoline
CAS number:837-52-5

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C13H14ClN3
Molecular weight:247.7

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

Hazard Codes	C: Corrosive;
Risk Phrases	R34
Safety Phrases	S22-S26-S36/37/39-S45
HS Code	2933990090

Piperazine

CAS#:110-85-0

4,7-Dichloroqui...

CAS#:86-98-6

~98%

7-Chloro-4-(pip...

CAS#:837-52-5

Literature: Youngsaye, Willmen; Vincent, Benjamin; Hartland, Cathy L.; Morgan, Barbara J.; Buhrlage, Sara J.; Johnston, Stephen; Bittker, Joshua A.; MacPherson, Lawrence; Dandapani, Sivaraman; Palmer, Michelle; Whitesell, Luke; Lindquist, Susan; Schreiber, Stuart L.; Munoz, Benito Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5502 - 5505

Precursor 2
CAS#:110-85-0 Piperazine CAS#:86-98-6 4,7-Dichloroqui...
DownStream 2
CAS#:4085-31-8 piperaquine pho... CAS#:774549-97-2 KM 11060

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%