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ARQ 621 - 96%, high purity , CAS No.1095253-39-6

COA

Grade & Purity:

Moligand™

≥96%

Cas Number: 1095253-39-6
Molecular Weight: 552.43
PubChem CID: 25110841

In stock

Item Number

A413746

Grouped product items
SKU	Size	Availability	Price
A413746-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$139.90
A413746-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$202.90
A413746-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90
A413746-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$518.90
A413746-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$747.90

Kinesin Inhibitors

View related series

Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Cytoskeleton (498) Kinesin (32)

Basic Description

Synonyms	UU55190C8S \| DTXSID80148974 \| EX-A857 \| BENZAMIDE, N-(3-AMINOPROPYL)-3-CHLORO-N-((1R)-1-(7-CHLORO-3,4-DIHYDRO-4-OXO-3-(PHENYLAMINO)-2-QUINAZOLINYL)-3-BUTYN-1-YL)-2-FLUORO- \| MS-30090 \| N-(3-aminopropyl)-3-chloro-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(ph
Specifications & Purity	Moligand™, ≥96%
Biochemical and Physiological Mechanisms	ARQ 621 is an allosteric, and selective Eg5 mitotic motor protein inhibitor. Phase 1.
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Information ARQ 621 ARQ 621 is an allosteric, and selective Eg5 mitotic motor protein inhibitor. Phase 1. Targets Eg5 mitotic motor protein In vitro ARQ 621 demonstrates anti-tumor activity against a wide range of human cancer cell lines including colon, lung, endometrial, bladder, and hematologic cancer cell lines, with significantly less cytotoxicity against hematopoietic cells. In vivo ARQ 621, as a novel clinical stage drug candidate, inhibits a number of xenografts grown in athymic mice, such as pancreatic, breast, prostate, and ovarian carcinomas with no hematological changes. Furthermore, for ARQ 621, there is no envidence of bone marrow toxicity in pre-clinical mouse efficacy models or safety studies in rats and dogs.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides Phenylhydrazines Benzoyl derivatives Pyrimidones Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactams Azacyclic compounds Acetylides Monoalkylamines Organic oxides Organochlorides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylhydrazine - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Acetylide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	5.98
hba_count	3
HBD Count	2
Rotatable Bond	9

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamide
INCHI	InChI=1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1
InChIKey	UPJSUQWHUVLLNW-XMMPIXPASA-N
Smiles	C#CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F
Isomeric SMILES	C#CC[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F
Molecular Weight	552.43
Reaxy-Rn	18978848
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18978848&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (181.01 mM); Ethanol: 100 mg/mL (181.01 mM); Water: Insoluble;
Sensitivity	Light & Moisture &Heat sensitiv
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	181.0184096
Water(mg / mL) Max Solubility	＜1
Molecular Weight	552.400 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	551.129 Da
Monoisotopic Mass	551.129 Da
Topological Polar Surface Area	91.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	920.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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