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MedKoo Cat#: 127716 | Name: HS-014
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Description:

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

HS-014 is an antagonist of melanocortin receptor 4 (MC4R; Ki = 3.16 nM)

Chemical Structure

HS-014
HS-014
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 127716

Name: HS-014

CAS#: N/A

Chemical Formula: C73H95F3N20O19S2

Exact Mass: 1676.6476

Molecular Weight: 1677.80

Elemental Analysis: C, 52.26; H, 5.71; F, 3.40; N, 16.70; O, 18.12; S, 3.82

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Related CAS #
No Data
Synonym
HS-014 (trifluoroacetate salt); HS-014; HS014; HS 014;
IUPAC/Chemical Name
(S)-3-((S)-2-((S)-1-(((4R,10S,13S,16R,19S,22S,25R)-19-((1H-imidazol-5-yl)methyl)-10-((1H-indol-3-yl)methyl)-25-acetamido-22-(2-carboxyethyl)-13-(3-guanidinopropyl)-16-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl)-L-prolyl)pyrrolidine-2-carboxamido)-6-aminohexanamido)-4-amino-4-oxobutanoic acid--2,2,2-trifluoroacetic acid (1/1)
InChi Key
XFWXDSGIBQHHGQ-FNAFJDLNSA-N
InChi Code
InChI=1S/C71H94N20O17S2.C2HF3O2/c1-38(92)81-53-35-109-110-36-54(69(107)91-26-10-18-56(91)70(108)90-25-9-17-55(90)68(106)85-46(15-6-7-23-72)62(100)86-49(60(73)98)31-59(96)97)82-57(93)34-79-61(99)51(29-42-32-78-45-14-5-4-13-44(42)45)88-63(101)47(16-8-24-77-71(74)75)83-65(103)50(28-39-19-20-40-11-2-3-12-41(40)27-39)87-66(104)52(30-43-33-76-37-80-43)89-64(102)48(84-67(53)105)21-22-58(94)95;3-2(4,5)1(6)7/h2-5,11-14,19-20,27,32-33,37,46-56,78H,6-10,15-18,21-26,28-31,34-36,72H2,1H3,(H2,73,98)(H,76,80)(H,79,99)(H,81,92)(H,82,93)(H,83,103)(H,84,105)(H,85,106)(H,86,100)(H,87,104)(H,88,101)(H,89,102)(H,94,95)(H,96,97)(H4,74,75,77);(H,6,7)/t46-,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-;/m0./s1
SMILES Code
O=C([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC[C@H](NC(CNC1=O)=O)C(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@@H](CCCCN)C(N[C@H](C(N)=O)CC(O)=O)=O)=O)=O)=O)NC(C)=O)=O)CCC(O)=O)=O)CC4=CN=CN4)=O)CC5=CC6=C(C=CC=C6)C=C5)=O)CCCNC(N)=N)N[C@H]1CC7=CNC8=CC=CC=C78.O=C(O)C(F)(F)F
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 1,677.80 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