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MedKoo Cat#: 128906 | Name: Hemokinin 1 TFA
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Hemokinin 1 is an 11-amino acid tachykinin neuropeptide with roles in pain transmission and inflammation and is a neurokinin-1 (NK1) receptor agonist.

Chemical Structure

Hemokinin 1 TFA
Hemokinin 1 TFA
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128906

Name: Hemokinin 1 TFA

CAS#: N/A

Chemical Formula: C63H101F3N22O17S

Exact Mass: 1526.7388

Molecular Weight: 1527.69

Elemental Analysis: C, 49.53; H, 6.66; F, 3.73; N, 20.17; O, 17.80; S, 2.10

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Related CAS #
No Data
Synonym
Hemokinin 1 TFA; Hemokinin-1; Hemokinin 1
IUPAC/Chemical Name
(S)-N1-((5S,8S,14S,17S)-5-carbamoyl-14-(4-hydroxybenzyl)-8-isobutyl-7,10,13,16-tetraoxo-18-phenyl-2-thia-6,9,12,15-tetraazaoctadecan-17-yl)-2-((6S,9S,12S,15S,18S)-1,6-diamino-12,18-bis(3-guanidinopropyl)-15-((R)-1-hydroxyethyl)-9-(hydroxymethyl)-1-imino-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadecan-19-amido)pentanediamide 2,2,2-trifluoroacetate
InChi Key
ITKJSMRARYFITA-IXIJGXLCSA-N
InChi Code
InChI=1S/C61H100N22O15S.C2HF3O2/c1-32(2)27-42(55(95)76-38(49(64)89)22-26-99-4)75-47(88)30-74-51(91)43(29-35-16-18-36(86)19-17-35)80-56(96)44(28-34-11-6-5-7-12-34)81-53(93)41(20-21-46(63)87)78-52(92)39(14-9-24-72-60(67)68)79-58(98)48(33(3)85)83-54(94)40(15-10-25-73-61(69)70)77-57(97)45(31-84)82-50(90)37(62)13-8-23-71-59(65)66;3-2(4,5)1(6)7/h5-7,11-12,16-19,32-33,37-45,48,84-86H,8-10,13-15,20-31,62H2,1-4H3,(H2,63,87)(H2,64,89)(H,74,91)(H,75,88)(H,76,95)(H,77,97)(H,78,92)(H,79,98)(H,80,96)(H,81,93)(H,82,90)(H,83,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73);(H,6,7)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+,48+;/m1./s1
SMILES Code
OC(C=C1)=CC=C1C[C@@H](C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N)=O)CCSC)=O)=O)=O)NC([C@@H](NC([C@H](CCC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H]([C@H](O)C)NC([C@H](CCCNC(N)=N)NC([C@H](CO)NC([C@@H](N)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)CC2=CC=CC=C2)=O.OC(C(F)(F)F)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,527.69 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Bellucci, F., Carini, F., Catalani, C., et al. Pharmacological profile of the novel mammalian tachykinin, hemokinin 1. Br. J. Pharmacol. 135(1), 266-274 (2002). 2. Agaeva, G.A., Agaeva, U.T., and Godjaev, N.M. The spatial organization of the human hemokinin-1 and mouse/rat hemokinin-1 molecules. Biophysics 60(3), 365-377 (2015). 3. Hunyady, Á., Hajna, Z., Gubányi, T., et al. Hemokinin-1 is an important mediator of pain in mouse models of neuropathic and inflammatory mechanisms. Brain Res. Bull. 147, 165-173 (2019). 4. Hajna, Z., Borbély, É., Kemény, Á., et al. Hemokinin-1 is an important mediator of endotoxin-induced acute airway inflammation in the mouse. Peptides 64, 1-7 (2015).

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