CAS No.16960-16-0,Cosyntropin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16960-16-0
Name:	Cosyntropin

Formula:	C₁₃₆H₂₁₀N₄₀O₃₁S
Molecular Weight:	2933.46
Synonyms:	(1-24)a-ACTH;1-24 ACTH (human);4: PN: WO2004045592 SEQID: 3 unclaimed sequence;8: PN: WO0069900 SEQID: 7 unclaimedsequence;ACTH1-24;Actholain;Adrenocorticotropin(1-24);Corticotropin-(1-24);Cortrophin S;HumanACTH (1-24);L-Proline, L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-glutamyl-L-a-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-valylglycyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-prolyl-L-valyl-L-lysyl-L-valyl-L-tyrosyl-;PN: WO9952928 SEQID: 9 claimed protein;Porcine ACTH (1-24);Synacthen;b-Corticotrophin-(1-24)-tetracosapeptide;b1-24-ACTH;b1-24-Tetracosactide;
EINECS:	241-031-1
Density:	1.476 g/cm³
Solubility:	Soluble in water
PSA:	1184.02000
LogP:	6.74150

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Specification

1. Introduction of Cosyntropin
The Cosyntropin is a synthetic analogue of the naturally-occurring adrenocorticotrophic hormone. Cosyntropin is soluble at 1 part in 70 parts of water. The systematic name of this chemical is L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-α-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-valylglycyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-prolyl-L-valyl-L-lysy l-L-valyl-L-tyrosyl-L-proline. The product's categories are Organics; Peptide; Melanocortin Receptor. It is white to light yellow powder which is easily soluble in water and the solution is unstable.

Its Classification Code is Drug / Therapeutic Agent; Hormone [adrenocorticotropic]; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Human Data.

2. Properties of Cosyntropin
Physical properties about Cosyntropin are:
(1)ACD/LogP: -4.32; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 71; (4)#H bond donors: 50; (5)#Freely Rotating Bonds: 102; (6)Polar Surface Area: 1184.02 ?2; (7)Index of Refraction: 1.681; (8)Molar Refractivity: 751.708 cm³; (9)Molar Volume: 1986.823 cm³; (10)Polarizability: 298×10^-24 cm³; (11)Surface Tension: 66.792 dyne/cm; (12)Density: 1.476 g/cm³; (13)XLogP3-AA: -7.9; (14)H-Bond Donor: 42; (15)H-Bond Acceptor: 39; (16)Rotatable Bond Count: 96; (17)Tautomer Count: 1000; (18)Exact Mass: 2932.583996; (19)MonoIsotopic Mass: 2931.580641; (20)Topological Polar Surface Area: 1180; (21)Heavy Atom Count: 208.

3. Structure Descriptors of Cosyntropin
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc5cnc4ccccc45)C(=O)NCC(=O)N[C@@H](CC CCN)C(=O)N9CCC[C@H]9C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N8CCC[C@H]8C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@ @H](Cc6ccc(O)cc6)C(=O)N7CCC[C@H]7C(O)=O)C(C)C)C(C)C)[C@@H](N)CO
(2)InChI:InChI=1/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1
(3)InChIKey:ZOEFCCMDUURGSE-SQKVDDBVBT

4. Toxicity of Cosyntropin
The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
women	LDLo	intramuscular	5ug/kg (0.005mg/kg)	CARDIAC: CHANGE IN RATE LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	JAMA, Journal of the American Medical Association. Vol. 237, Pg. 879, 1977.

5. Safety Information of Cosyntropin
WGK Germany: 3
RTECS: GM7915000

6. Uses of Cosyntropin
Uses of Cosyntropin: It is used for diagnostic purposes only (e.g. in short synacthen test). And it is also suitable for treatment of adrenal insufficiency of central origin. What's more, it has been used in the treatment of spasm. As well as its legitimate medical applications, it has been widely reported that Synacthen has also been used as an illegal performance enhancing drug by professional cyclists.