CompoundList
Sign in
Peptides

Katacalcin

Also known as hCCAP, Katacalcin (human), CCAP (katacalcin)

CAS 85916-47-8Formula C97H154N34O36S2Molar mass 2,436.64 g/mol
2 suppliers listed
Get quotes Compare 2 suppliers
Katacalcin chemical structure, C97H154N34O36S2, CAS 85916-47-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85916-47-8
Formula
C97H154N34O36S2
Molar mass
2,436.64 g/mol
HS code
293329
Category
Peptides

What is Katacalcin?

Plain description, key identifiers and synonyms

Katacalcin is a chemical substance with the molecular formula C97H154N34O36S2 and a molar mass of 2,436.64 g/mol. Its CAS registry number is 85916-47-8. The IUPAC name is 5-[[1-[[1-[[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-methoxy-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[[1-[[1-[[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-methoxy-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CAS number
85916-47-8
Molecular formula
C97H154N34O36S2
InChIKey
BOARIOLZPFSAQJ-NQSKQZERSA-N
InChI
InChI=1S/C97H154N34O36S2/c1-43(2)29-55(119-83(154)60(36-72(143)144)123-86(157)62(39-132)127-87(158)63(40-133)126-79(150)52(21-27-168-7)113-75(146)48(98)32-70(139)140)81(152)115-51(18-20-69(137)138)77(148)114-49(13-9-23-108-96(102)103)76(147)122-59(35-71(141)142)84(155)120-56(30-46-37-106-41-110-46)82(153)117-53(14-10-24-109-97(104)105)93(163)130-25-12-16-65(130)89(160)124-57(31-47-38-107-42-111-47)85(156)128-73(44(3)4)90(161)129-92(167-6)91(162)118-54(22-28-169-8)94(164)131-26-11-15-64(131)88(159)116-50(17-19-66(99)134)78(149)121-58(33-67(100)135)80(151)112-45(5)74(145)125-61(95(165)166)34-68(101)136/h37-38,41-45,48-65,73,92,132-133H,9-36,39-40,98H2,1-8H3,(H2,99,134)(H2,100,135)(H2,101,136)(H,106,110)(H,107,111)(H,112,151)(H,113,146)(H,114,148)(H,115,152)(H,116,159)(H,117,153)(H,118,162)(H,119,154)(H,120,155)(H,121,149)(H,122,147)(H,123,157)(H,124,160)(H,125,145)(H,126,150)(H,127,158)(H,128,156)(H,129,161)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,165,166)(H4,102,103,108)(H4,104,105,109)/t45-,48-,49?,50-,51?,52?,53-,54-,55?,56?,57-,58-,59?,60-,61-,62-,63?,64-,65-,73-,92-/m0/s1
Canonical SMILES
COC(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)O
Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)C(CC4=CN=CN4)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)[C@H](CC(=O)O)N)OC

Synonyms

  • hCCAP
  • Katacalcin (human)
  • CCAP (katacalcin)
  • Pdn-21
  • Calcitonin carboxyl-terminal flanking peptide
  • Calcitonin carboxyl-terminal peptide, human
  • CCP (calcitonin carboxyl-terminal peptide)
  • Preprocalcitonin carboxyl-terminal region peptide
  • CCP I
  • Human ccap
  • Peptide (aspartic acid-asparagine)

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
2,436.64 g/molcalc.
Exact mass
2,435.0706 Dacalc.
LogP (octanol/water)
-15.31calc.
Topological polar surface area
1,137 Ųcalc.
Hydrogen bond donors
37calc.
Hydrogen bond acceptors
38calc.
Rotatable bonds
79calc.
Heavy atoms
169calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
21calc.
Lipinski rule of five
Fails (3 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(CCc1cnc[nH]1)NCC(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1

O=C(CCc1cnc[nH]1)NCC(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1

4 rings, 47 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Katacalcin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Katacalcin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Calcium-Regulating Hormones and Agents

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Katacalcin?

Katacalcin is a chemical substance with the molecular formula C97H154N34O36S2 and a molar mass of 2,436.64 g/mol. Its CAS registry number is 85916-47-8.

What is the CAS number of Katacalcin?

The CAS registry number of Katacalcin is 85916-47-8.

What is the molecular formula and weight of Katacalcin?

The molecular formula of Katacalcin is C97H154N34O36S2 and its molar mass is 2,436.64 g/mol.

What is Katacalcin used for?

Known uses and roles of Katacalcin include calcium-regulating hormones and agents.

Is Katacalcin hazardous?

No GHS hazard classification for Katacalcin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Katacalcin?

Katacalcin is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Katacalcin?

CompoundList lists 2 suppliers of Katacalcin in Japan and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Katacalcin?

Suppliers quote Katacalcin 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 Katacalcin

Get quotes for Katacalcin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Katacalcin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Katacalcin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/katacalcin-85916-47-8" title="Katacalcin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Peptides or HS code 293329

2 suppliers
Free quotes, contact stays private
Get quotes