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Tiprelestat

Also known as Human elafin, tiprelestatum, Recombinant elafin

CAS 820211-82-3Formula C254H416N72O75S10Molar mass 5,999.22 g/mol
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Tiprelestat chemical structure, C254H416N72O75S10, CAS 820211-82-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
820211-82-3
Formula
C254H416N72O75S10
Molar mass
5,999.22 g/mol
HS code
293499
Category
Peptides

What is Tiprelestat?

Plain description, key identifiers and synonyms

Tiprelestat is a chemical substance with the molecular formula C254H416N72O75S10 and a molar mass of 5,999.22 g/mol. Its CAS registry number is 820211-82-3. The IUPAC name is (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(1R,4S,4aS,7S,7aS,10S,10aS,13aR,16S,20aS,22S,23aS,25S,26aS,28S,29aS,31S,32aS,34R,37S,40S,43S,46S,49S,52S,58R,63R,66S,72S,75R,81S,84S,87R,92R,98S)-58-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-7a,10a,23a-tris(4-aminobutyl)-7,22-bis(2-amino-2-oxoethyl)-4a,40,46,49-te

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trakis[(2S)-butan-2-yl]-4,37-bis(3-carbamimidamidopropyl)-66-(2-carboxyethyl)-26a,32a-bis(carboxymethyl)-29a-[(1R)-1-hydroxyethyl]-72-(hydroxymethyl)-31,84-dimethyl-20a,25,43-tris(2-methylpropyl)-28,81-bis(2-methylsulfanylethyl)-2a,3,5a,6,8a,9,11a,15,18a,21,21a,24,24a,27,27a....

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(1R,4S,4aS,7S,7aS,10S,10aS,13aR,16S,20aS,22S,23aS,25S,26aS,28S,29aS,31S,32aS,34R,37S,40S,43S,46S,49S,52S,58R,63R,66S,72S,75R,81S,84S,87R,92R,98S)-58-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-7a,10a,23a-tris(4-aminobutyl)-7,22-bis(2-amino-2-oxoethyl)-4a,40,46,49-tetrakis[(2S)-butan-2-yl]-4,37-bis(3-carbamimidamidopropyl)-66-(2-carboxyethyl)-26a,32a-bis(carboxymethyl)-29a-[(1R)-1-hydroxyethyl]-72-(hydroxymethyl)-31,84-dimethyl-20a,25,43-tris(2-methylpropyl)-28,81-bis(2-methylsulfanylethyl)-2a,3,5a,6,8a,9,11a,15,18a,21,21a,24,24a,27,27a...
CAS number
820211-82-3 CAS number cross-checked
Molecular formula
C254H416N72O75S10
UNII
78I8295690
InChIKey
MDCUNMLZLNGCQA-HWOAGHQOSA-N
InChI
InChI=1S/C254H416N72O75S10/c1-28-129(17)195-239(387)288-142(60-38-43-85-258)208(356)283-141(59-37-42-84-257)210(358)306-168-120-407-406-119-167-228(376)294-152(99-123(5)6)215(363)284-140(58-36-41-83-256)209(357)296-158(106-191(347)348)221(369)317-200(137(25)331)244(392)299-157(105-190(345)346)218(366)308-169(248(396)321-91-49-65-172(321)231(379)274-110-186(339)310-195)121-410-408-117-165(227(375)295-155(102-138-55-33-32-34-56-138)220(368)313-194(128(15)16)251(399)325-95-53-68-175(325)232(380)292-151(252(400)401)73-77-180(262)333)302-203(351)135(23)276-207(355)147(80-97-402-26)278-183(336)107-272-206(354)163-115-404-405-116-164(225(373)277-134(22)202(350)282-148(81-98-403-27)214(362)293-153(100-124(7)8)216(364)300-159(104-182(264)335)247(395)326-96-54-71-178(326)250(398)324-94-52-67-174(324)233(381)297-156(103-181(263)334)217(365)285-143(211(359)305-167)62-45-87-269-253(265)266)304-212(360)144(63-46-88-270-254(267)268)289-240(388)196(130(18)29-2)314-219(367)154(101-125(9)10)298-241(389)197(131(19)30-3)316-242(390)198(132(20)31-4)315-236(384)177-70-51-93-323(177)249(397)170(122-411-409-118-166(307-229(168)377)226(374)286-145(74-78-188(341)342)205(353)271-108-184(337)279-160(112-327)222(370)303-163)309-223(371)161(113-328)280-185(338)109-273-230(378)171-64-48-90-320(171)245(393)149(61-39-44-86-259)291-243(391)199(136(24)330)318-224(372)162(114-329)301-238(386)193(127(13)14)311-234(382)173-66-47-89-319(173)187(340)111-275-204(352)139(57-35-40-82-255)287-237(385)192(126(11)12)312-235(383)176-69-50-92-322(176)246(394)150(75-79-189(343)344)290-213(361)146(72-76-179(261)332)281-201(349)133(21)260/h32-34,55-56,123-137,139-178,192-200,327-331H,28-31,35-54,57-122,255-260H2,1-27H3,(H2,261,332)(H2,262,333)(H2,263,334)(H2,264,335)(H,271,353)(H,272,354)(H,273,378)(H,274,379)(H,275,352)(H,276,355)(H,277,373)(H,278,336)(H,279,337)(H,280,338)(H,281,349)(H,282,350)(H,283,356)(H,284,363)(H,285,365)(H,286,374)(H,287,385)(H,288,387)(H,289,388)(H,290,361)(H,291,391)(H,292,380)(H,293,362)(H,294,376)(H,295,375)(H,296,357)(H,297,381)(H,298,389)(H,299,392)(H,300,364)(H,301,386)(H,302,351)(H,303,370)(H,304,360)(H,305,359)(H,306,358)(H,307,377)(H,308,366)(H,309,371)(H,310,339)(H,311,382)(H,312,383)(H,313,368)(H,314,367)(H,315,384)(H,316,390)(H,317,369)(H,318,372)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,400,401)(H4,265,266,269)(H4,267,268,270)/t129-,130-,131-,132-,133-,134-,135-,136+,137+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,192-,193-,194-,195-,196-,197-,198-,199-,200-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C2CSSCC(C(=O)NC(Cc3ccccc3)C(=O)NC(C(=O)N3CCCC3C(=O)NC(CCC(N)=O)C(=O)O)C(C)C)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)CNC(=O)C3CSSCC4NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(CO)NC(=O)CNC(=O)C5CCCN5C(=O)C(CCCCN)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C5CCCN5C(=O)CNC(=O)C(CCCCN)NC(=O)C(NC(=O)C5CCCN5C(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(C)N)C(C)C)C(C)C)C(C)O)CSSCC(NC(=O)C(CSSCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C5CCCN5C(=O)C5CCCN5C(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C)NC4=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)N2)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)N3
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CCCNC(=N)N)CC(=O)N)CC(=O)N)CC(C)C)CCSC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]7CCCN7C(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N4)CO)CCC(=O)O)NC2=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]9CCCN9C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)CC(C)C)[C@@H](C)CC)CCCNC(=N)N)CCSC)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC(=O)O)[C@@H](C)O)CC(=O)O)CCCCN)CC(C)C)CCCCN)CCCCN

Synonyms

  • Human elafin
  • tiprelestatum
  • Recombinant elafin
  • Elastase-specific inhibitor, skin-derived antileukoproteinase, peptidase inhibitor 3
  • Elafin
  • Trappin-2
  • Human elafin (elastase-specific inhibitor, skin-derived antileukoproteinase, peptidase inhibitor 3)

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
5,999.22 g/molcalc.
Exact mass
5,994.8158 Dacalc.
LogP (octanol/water)
-23.7calc.
Topological polar surface area
2,299 Ųcalc.
Hydrogen bond donors
74calc.
Hydrogen bond acceptors
88calc.
Rotatable bonds
113calc.
Heavy atoms
411calc.
Rings
13calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
58calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Tiprelestat suppliers

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1 supplier in 0 countries

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Tiprelestat price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Tiprelestat is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Tiprelestat?

Tiprelestat is a chemical substance with the molecular formula C254H416N72O75S10 and a molar mass of 5,999.22 g/mol. Its CAS registry number is 820211-82-3.

What is the CAS number of Tiprelestat?

The CAS registry number of Tiprelestat is 820211-82-3.

What is the molecular formula and weight of Tiprelestat?

The molecular formula of Tiprelestat is C254H416N72O75S10 and its molar mass is 5,999.22 g/mol.

Is Tiprelestat hazardous?

No GHS hazard classification for Tiprelestat 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 Tiprelestat?

Tiprelestat is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tiprelestat?

CompoundList lists 1 supplier of Tiprelestat. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tiprelestat?

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

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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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