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Peptides

Pentagastrin

Also known as Peptavlon, Pentagastrina, Pentagastrine

CAS 5534-95-2Formula C37H49N7O9SMolar mass 767.91 g/molEC 226-889-7
GHS signal word: Warning. Pictograms: Harmful or irritant 51 suppliers listed Drug substance
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Pentagastrin chemical structure, C37H49N7O9S, CAS 5534-95-2
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Fine, colorless needle-shaped crystals from 2-ethoxyethanol + water
Melting point
229 to 230
Solubility
SOL IN DIMETHYL FORMAMIDE & DIMETHYL SULFOXIDE, INSOL IN WATER, ETHANOL, ETHER, BENZENE
HS code
293399
Category
Peptides
Illustrative photo, colourless crystals in a clear glass bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Pentagastrin?

Plain description, key identifiers and synonyms

Pentagastrin is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
CAS number
5534-95-2 CAS number cross-checked
EC number
226-889-7
Molecular formula
C37H49N7O9S
UNII
EF0NX91490
MDL number
MFCD00076515
InChIKey
NEYNJQRKHLUJRU-DZUOILHNSA-N
InChI
InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
Canonical SMILES
CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O
Isomeric SMILES
CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

Synonyms

  • Peptavlon
  • Pentagastrina
  • Pentagastrine
  • Gastrodiagnost
  • Pentagastrinum
  • Petogasrin
  • AY 6608
  • ICI 50123
  • ICI 50,123
  • Boc-beta-ala-try-met-asp-phe(nh2)
  • N-t-Butyloxycarbonyl-beta-alanyl-L-tryptophyl-L-methion yl-L-aspartyl-L-phenylalanine amide
  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-
  • N-Carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide N-tert-butyl ester
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butyl ester, L-
  • Gastrin Pentapeptide
  • Pentapeptide, Gastrin
  • Peptavlon (TN)
  • Pentagastrin (JAN/USAN/INN)
  • N-(alpha-Carbamoylphenethyl)-3-(2-(2-(3-(carboxyamino)propionamido)-3-indol-3-ylpropionamido)-4-(methylthio)butyramido)succinamic acid N-tert-butyl ester
  • N-(N-(N-(N-(N-tert-Butoxycarbonyl-beta-alanyl)-L-tryptophanyl)-L-methionyl)-L-aspartyl)-L-phenylalaninamide
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-bu
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butylester, L-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Fine, colorless needle-shaped crystals from 2-ethoxyethanol + waterexp.
Melting point
229 to 230exp.
Solubility
SOL IN DIMETHYL FORMAMIDE & DIMETHYL SULFOXIDE, INSOL IN WATER, ETHANOL, ETHER, BENZENEexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
767.91 g/molcalc.
Exact mass
767.3312 Dacalc.
LogP (octanol/water)
1.52calc.
Topological polar surface area
250.9 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
20calc.
Heavy atoms
54calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCc1c[nH]c2ccccc12)NCC(=O)NCC(=O)NCCc1ccccc1

O=C(CCc1c[nH]c2ccccc12)NCC(=O)NCC(=O)NCCc1ccccc1

3 rings, 30 atoms.

31 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pentagastrin suppliers

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All 51 suppliers
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Where suppliers are based

51 suppliers in 10 countries

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Pentagastrin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

How it is made

Hardy et al, belgian patent 665,591 & british patent 1,042,487 (1965 to ici), ca 64, 19774g (1966), davey et al, j chem soc (c) 1966, 555, sakakibara et al, bull chem soc japan 41, 438 (1968). Structure-function relationship studies: morley et al, nature 207, 1356 (1965).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentagastrin is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Pentagastrin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pentagastrin, based on the data on this page

What is Pentagastrin?

Pentagastrin is an organic molecular entity.

What is the CAS number of Pentagastrin?

The CAS registry number of Pentagastrin is 5534-95-2.

What is the molecular formula and weight of Pentagastrin?

The molecular formula of Pentagastrin is C37H49N7O9S and its molar mass is 767.91 g/mol.

What is Pentagastrin used for?

Known uses and roles of Pentagastrin include building blocks in research and laboratory.

Is Pentagastrin hazardous?

Pentagastrin carries the GHS signal word "Warning". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pentagastrin?

Pentagastrin is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentagastrin?

CompoundList lists 51 suppliers of Pentagastrin in United States, China, Germany, Spain and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pentagastrin?

Suppliers quote Pentagastrin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pentagastrin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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