Adenosine,2-chloro-N-cyclopentyl- supplier

Name
CCPA
EINECS
CAS No. 37739-05-2
Article Data16
CAS DataBase
Density 1.87 g/cm³
Solubility H₂O: 1.7 mg/mL, insoluble
Melting Point
Formula C₁₅H₂₀ClN₅O₄
Boiling Point 617.3 °C at 760 mmHg
Molecular Weight 369.808
Flash Point 327.1 °C
Transport Information
Appearance off-white to light yellow solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-N6-cyclopentyladenosine;2-Chloro-N(6)cyclopentyladenosine;(2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol;(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol;2-Chloro-N-cyclopentyladenosine;
PSA 125.55000
LogP 0.51870

Adenosine,2-chloro-N-cyclopentyl- Specification

The Adenosine,2-chloro-N-cyclopentyl-, with the CAS registry number 37739-05-2, is also known as 2-Chloro-N(6)cyclopentyladenosine. It belongs to the product categories of Adenosines/P2 Nucleotide Receptors (Purinergics); Agonists; Neurotransmitters; Adenosine receptor. This chemical's molecular formula is C₁₅H₂₀ClN₅O₄ and molecular weight is 369.8. What's more, its systematic name is 2-chloro-N-cyclopentyladenosine. Its classification code is Drug / Therapeutic Agent. Its storage temperature is 2-8 °C. Additionally, it should be sealed and stored in cool and dry places.

Physical properties of Adenosine,2-chloro-N-cyclopentyl- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.58; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 48.2; (8)ACD/KOC (pH 7.4): 48.21; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 83.76 Å²; (13)Index of Refraction: 1.824; (14)Molar Refractivity: 86.19 cm³; (15)Molar Volume: 197.2 cm³; (16)Polarizability: 34.17×10^-24 cm³; (17)Surface Tension: 81.3 dyne/cm; (18)Density: 1.87 g/cm³; (19)Flash Point: 327.1 °C; (20)Enthalpy of Vaporization: 96.24 kJ/mol; (21)Boiling Point: 617.3 °C at 760 mmHg; (22)Vapour Pressure: 4.26E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1nc(c2ncn(c2n1)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)NC4CCCC4
(2)InChI: InChI=1/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
(3)InChIKey: XSMYYYQVWPZWIZ-IDTAVKCVBF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 100mg/kg (100mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1305, 1994. Link to PubMed

Product Name

CCPA

Adenosine,2-chloro-N-cyclopentyl- Specification

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