CAS No.9005-49-6,Heparin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	9005-49-6
Name:	Heparin
Article Data:	6

Formula:	Unspecified
Molecular Weight:	1134.93
Synonyms:	Ardeparin;AVE 5026;Centaxarin;CY 222;CY 216;Bemiparin;Arteven;Multiparin;Nadroparin;Nadroparine;Novoheparin;OP 386;OP 622;Octaparin;Pabyrn;Parnaparin;Reviparin;Subeparin;Tinzaparin;Vetren;a-Heparin;LipoHep Forte;KB 101;Heparin sulfate;Hapacarin;H 5284;Fraxiparin;Fragmin A;F 202;Clivarine;Clevarin;Mono-embolex;
EINECS:	232-681-7
Density:	2.13g/cm³
Melting Point:	250 °C (decomp)
Boiling Point:	644.9oC at 760mmHg
Flash Point:	343.8oC
Appearance:	white crystalline powder
Safety:	24/25
PSA:	652.39000
LogP:	-4.52610

Synthetic route

heparin sodium salt: heparin sodium salt

heparin: heparin

Conditions

Conditions	Yield
With Amberlit IR-124 In water at 36.85℃; Equilibrium constant; Kinetics; Further Variations:; Reagents;

: 1333107-97-3
C22H34N2O

heparin: heparin

retinoic acid-heparin conjugate: retinoic acid-heparin conjugate

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In formamide; N,N-dimethyl-formamide at 20℃; for 0.0833333h; microfluidics;	95.3%

: 197151-85-2
2-aminoethylfolic acid γ-amide

: 1333107-97-3
C22H34N2O

heparin: heparin

folic acid-heparin-retinoic acid conjugate: folic acid-heparin-retinoic acid conjugate

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In formamide; N,N-dimethyl-formamide at 20℃; for 0.0833333h; microfluidics;	90.2%

...Expand

: 2450-71-7
Propargylamine

heparin: heparin

propargylamine modified heparin: propargylamine modified heparin

Conditions

Conditions	Yield
With 1-hydroxy-pyrrolidine-2,5-dione; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20℃; for 48h; pH=6 - 6.5;	78%

heparin: heparin

LMWH; N-deacetylated: LMWH; N-deacetylated

Conditions

Conditions	Yield
With hydrazinium sulfate; hydrazine In water at 95℃; for 16h;	16%

heparin: heparin

rat serum albumin: rat serum albumin

albumin-heparin conjugate: albumin-heparin conjugate

Conditions

Conditions	Yield
With hydrogenchloride; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In water at 4℃; for 24h; pH=5.0 - 7.6;

heparin sodium salt: heparin sodium salt

heparin: heparin

Conditions

Conditions	Yield
With Amberlit IR-124 In water at 36.85℃; Equilibrium constant; Kinetics; Further Variations:; Reagents;

poly(vinyl amine): poly(vinyl amine)

: 66-25-1
hexanal

heparin: heparin

poly(N-vinyl hexyl amine-co-N-vinyl heparin amine): poly(N-vinyl hexyl amine-co-N-vinyl heparin amine)

Conditions

Conditions	Yield
sodium cyanoborohydride In methanol; water for 48h;

...Expand

heparin: heparin

O-desulfated heparin: O-desulfated heparin

Conditions

Conditions	Yield
Stage #1: heparin With sodium tetrahydroborate In water at 25℃; Stage #2: With sodium hydroxide pH=13; frozen and lyophilized to dryness;

hyaluronic acid (molecular weight 150.000 Dalton): hyaluronic acid (molecular weight 150.000 Dalton)

heparin: heparin

heparin-Hy complex: heparin-Hy complex

Conditions

Conditions	Yield
With hydrogenchloride; sodium sulfate In water pH=1.48;

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History

Heparin (CAS NO.9005-49-6) is discovered in 1916 predates the establishment of the Food and Drug Administration of the United States, although it did not enter clinical trials until 1935.It was originally isolated from canine liver cells, hence its name. Heparin's discovery can be attributed to the research activities of two men, Jay McLean and William Henry Howell.

Specification

1. Introduction of Heparin
Heparin is one kind of wihte or alomost white powder. The IUPAC name of Heparin is (4S,6R)-6-[(2R,4R)-4,6-Dihydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfonatooxyoxane-2-carboxylate. The Classification Code of this chemical is Anticoagulants ; Cardiovascular Agents ; Drug / Therapeutic Agent ; Fibrin Modulating Agents ; Fibrinolytic agents ; Hematologic Agents ; Human Data ; Mutation data ; Natural Product ; Reproductive Effect. Heparin can soluble in water.

2. Properties of Heparin
Physical properties about Heparin are:
(1)XLogP3-AA: -10.8; (2)H-Bond Donor: 15; (3)H-Bond Acceptor: 38; (4)Rotatable Bond Count: 21; (5)Tautomer Count: 2; (6)Exact Mass: 1134.006995; (7)MonoIsotopic Mass: 1134.006995; (8)Topological Polar Surface Area: 652; (9)Heavy Atom Count: 70; (10)Formal Charge: 0; (11)Complexity: 2410; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 0; (14)Undefined Atom Stereocenter Count: 20; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Index of Refraction: 1.711; (19)Molar Refractivity: 190.48 cm³; (20)Molar Volume: 486.7 cm³; (21)Surface Tension: 148.8 dyne/cm; (22)Density: 2.13 g/cm³.

3. Structure Descriptors of Heparin
(1)InChI: InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,
49,50,51)(H,52,53,54)
(2)InChIKey: HTTJABKRGRZYRN-UHFFFAOYSA-N
(3)Canonical SMILES : CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O

4. Toxicity of Heparin

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	intravenous	3536units/kg/ (3536units/kg)		Southern Medical Journal. Vol. 80, Pg. 1450, 1987.
man	TDLo	subcutaneous	1857units/kg/ (1857units/kg)		Southern Medical Journal. Vol. 80, Pg. 1450, 1987.
man	TDLo	subcutaneous	1857units/kg/ (1857units/kg)	CARDIAC: OTHER CHANGES	Southern Medical Journal. Vol. 80, Pg. 1450, 1987.
mouse	LD50	intraperitoneal	1900mg/kg (1900mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 60, Pg. 507, 1964.
mouse	LD50	intravenous	500mg/kg (500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 1366, 1986.
mouse	LD50	subcutaneous	500mg/kg (500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS	Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 1366, 1986.
rat	LD50	oral	1950mg/kg (1950mg/kg)		German Offenlegungsschrift Patent Document. Vol. #2636091,
rat	LDLo	intraperitoneal	420mg/kg (420mg/kg)		Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.
women	TDLo	subcutaneous	30uL/kg/5D-I (.03mL/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	British Journal of Haematology. Vol. 82, Pg. 620, 1992.
women	TDLo	subcutaneous	48mg/kg/20D-I (48mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" BLOOD: HEMORRHAGE	Australian and New Zealand Journal of Medicine. Vol. 28, Pg. 59, 1998.
women	TDLo	subcutaneous	1000units/kg/ (1000units/kg)		Southern Medical Journal. Vol. 80, Pg. 1450, 1987.

5. Safety information of Heparin
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: MI0850000
F: 3-10
Moderately toxic by ingestion, intraperitoneal, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

6. Uses of Heparin
Heparin (CAS NO.9005-49-6) may sometimes be used to treat sports injuries. Heparin, also known as unfractionated heparin, a highly sulfated glycosaminoglycan, is widely used as an injectable anticoagulant, and has the highest negative charge density of any known biological molecule. It can also be used to form an inner anticoagulant surface on various experimental and medical devices such as test tubes and renal dialysis machines.