CAS No.121808-62-6,Pidotimod Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121808-62-6
Name:	Pidotimod
Article Data:	2

Formula:	C₉H₁₂N₂O₄S
Molecular Weight:	244.271
Synonyms:	4-Thiazolidinecarboxylicacid, 3-[(5-oxo-2-pyrrolidinyl)carbonyl]-, [R-(R,S)]-;Adimod;Axil;Onaka;Pigitil;Polimod;
EINECS:	2017-001-1
Density:	1.53 g/cm³
Melting Point:	194-198 °C
Boiling Point:	663 °C at 760 mmHg
Flash Point:	354.8 °C
Appearance:	Almost white to white crystalline powder
PSA:	112.01000
LogP:	-0.48220

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Specification

The IUPAC name of Pidotimod is (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid. With the CAS registry number 121808-62-6, it is also named as (R)-3-((S)-(5-Oxo-2-pyrrolidinyl)carbonyl)-thiazolidin-4-carbonsaeure. The classification code is Drug / Therapeutic Agent. It is almost white to white crystalline powder which is an immunostimulant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 56.16 cm³; (14)Molar Volume: 160 cm³; (15)Polarizability: 22.26×10^-24 cm³; (16)Surface Tension: 72.3 dyne/cm; (17)Enthalpy of Vaporization: 106.35 kJ/mol; (18)Vapour Pressure: 2.7E-19 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 3; (21)Exact Mass: 244.051778; (22)MonoIsotopic Mass: 244.051778; (23)Topological Polar Surface Area: 112; (24)Heavy Atom Count: 16; (25)Complexity: 346; (26)Defined Atom StereoCenter Count: 2.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@H]2N(C(=O)[C@H]1NC(=O)CC1)CSC2
2. InChI:InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	intramuscular	> 2gm/kg (2000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
dog	LD50	intravenous	> 2gm/kg (2000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
dog	LD50	oral	> 4gm/kg (4000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
mouse	LD50	intramuscular	> 4gm/kg (4000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
mouse	LD50	intraperitoneal	3700mg/kg (3700mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
mouse	LD50	intravenous	> 4gm/kg (4000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
mouse	LD50	oral	> 8gm/kg (8000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
rat	LD50	intramuscular	> 4gm/kg (4000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
rat	LD50	intraperitoneal	5800mg/kg (5800mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
rat	LD50	intravenous	> 4gm/kg (4000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.
rat	LD50	oral	> 8gm/kg (8000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1448, 1994.