APROTININ | CAS No. 9004-04-0

APROTININ

Basic Information

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CAS Number

9004-04-0

Molecular Formula

C284H432N84O79S7

Molecular Weight

6511.44 g/mol

EINECS

232-994-9

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

white

SMILES

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[H]/N=C(/N)NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCSC)NC(=O)[C@H]2CSSC[C@H]3NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@@H](CCCN/C(N)=N\[H])NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN/C(N)=N\[H])C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(C)C)NC1=O

InChI

InChI=1S/C284H432N84O79S7/c1-21-144(9)222-271(439)337-174(68-46-105-309-282(300)301)239(407)340-187(120-160-77-85-164(374)86-78-160)251(419)341-185(116-156-55-29-24-30-56-156)250(418)342-188(121-161-79-87-165(375)88-80-161)252(420)346-191(123-208(291)378)246(414)322-149(14)230(398)326-168(62-35-39-98-285)234(402)319-146(11)227(395)314-132-215(385)324-181(113-141(3)4)247(415)354-199-137-452-453-138-200-263(431)336-179(97-112-448-20)242(410)331-176(70-48-107-311-284(304)305)244(412)363-226(154(19)372)274(442)358-197(233(401)316-129-212(382)312-130-213(383)318-151(16)278(446)447)135-449-451-139-201(355-253(421)186(117-157-57-31-25-32-58-157)344-256(424)195(127-220(393)394)350-267(435)204-72-50-109-366(204)275(443)167(289)61-43-102-306-279(294)295)265(433)339-182(114-142(5)6)248(416)338-180(93-96-218(389)390)276(444)368-111-52-74-206(368)277(445)367-110-51-73-205(367)268(436)349-189(122-162-81-89-166(376)90-82-162)259(427)362-224(152(17)370)269(437)317-133-216(386)365-108-49-71-203(365)266(434)357-202(264(432)333-169(63-36-40-99-286)235(403)320-148(13)229(397)328-175(69-47-106-310-283(302)303)243(411)360-223(145(10)22-2)272(440)361-222)140-454-450-136-198(325-214(384)131-313-211(381)128-315-232(400)183(119-159-75-83-163(373)84-76-159)351-270(438)221(143(7)8)359-258(426)190(118-158-59-33-26-34-60-158)352-273(441)225(153(18)371)364-245(413)177(335-262(199)430)91-94-207(290)377)261(429)334-172(66-44-103-307-280(296)297)236(404)321-147(12)228(396)327-170(64-37-41-100-287)237(405)330-173(67-45-104-308-281(298)299)238(406)345-192(124-209(292)379)255(423)347-193(125-210(293)380)254(422)343-184(115-155-53-27-23-28-54-155)249(417)332-171(65-38-42-101-288)240(408)353-196(134-369)260(428)323-150(15)231(399)329-178(92-95-217(387)388)241(409)348-194(126-219(391)392)257(425)356-200/h23-34,53-60,75-90,141-154,167-206,221-226,369-376H,21-22,35-52,61-74,91-140,285-289H2,1-20H3,(H2,290,377)(H2,291,378)(H2,292,379)(H2,293,380)(H,312,382)(H,313,381)(H,314,395)(H,315,400)(H,316,401)(H,317,437)(H,318,383)(H,319,402)(H,320,403)(H,321,404)(H,322,414)(H,323,428)(H,324,385)(H,325,384)(H,326,398)(H,327,396)(H,328,397)(H,329,399)(H,330,405)(H,331,410)(H,332,417)(H,333,432)(H,334,429)(H,335,430)(H,336,431)(H,337,439)(H,338,416)(H,339,433)(H,340,407)(H,341,419)(H,342,418)(H,343,422)(H,344,424)(H,345,406)(H,346,420)(H,347,423)(H,348,409)(H,349,436)(H,350,435)(H,351,438)(H,352,441)(H,353,408)(H,354,415)(H,355,421)(H,356,425)(H,357,434)(H,358,442)(H,359,426)(H,360,411)(H,361,440)(H,362,427)(H,363,412)(H,364,413)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,446,447)(H4,294,295,306)(H4,296,297,307)(H4,298,299,308)(H4,300,301,309)(H4,302,303,310)(H4,304,305,311)/t144-,145+,146-,147-,148-,149-,150+,151-,152+,153-,154-,167-,168+,169+,170+,171+,172+,173+,174-,175+,176-,177+,178-,179+,180+,181-,182-,183+,184-,185+,186+,187-,188-,189-,190+,191+,192-,193+,194+,195-,196-,197+,198-,199-,200-,201-,202-,203+,204+,205+,206-,221-,222-,223+,224-,225+,226+/m1/s1

InChIKey

ZPNFWUPYTFPOJU-YSFZTAPISA-N

LogP

-26.691980000000022

Topological Polar Surface Area

2645.740000000002 Å²

Hydrogen Bond Donor/Acceptor

108 / 163

Complexity

16700

Synonyms & References

English

H-ARG-PRO-ASP-PHE-CYS-LEU-GLU-PRO-PRO-TYR-THR-GLY-PRO-CYS-LYS-ALA-ARG-ILE-ILE-ARG-TYR-PHE-TYR-ASN-ALA-LYS-ALA-GLY-LEU-CYS-GLN-THR-PHE-VAL-TYR-GLY-GLY-CYS-ARG-ALA-LYS-ARG-ASN-ASN-PHE-LYS-SER-ALA-GLU-ASP-CYS-MET-ARG-THR-CYS-GLY-GLY-ALA-OH
EC: 3.4.21.9
APROTININ, BOVINE
APROTININ BOVINE LUNG
BPTI
PROTEASE INHIBITOR, BOVINE LUNG
TRYPSIN INHIBITOR (BASIC)
TRYPSIN INHIBITOR, BOVINE LUNG
Aprotinin
ANORETHIDRANE DIPROPIONATE

EC Number

232-994-9

FAQ

What is Aprotinin (CAS: 9004-04-0)?

Aprotinin is a protein isolate derived from the pancreas of cattle. It is a serine protease inhibitor with a molecular weight of approximately 43 kDa. Aprotinin is known for its ability to inhibit various proteases, including trypsin, plasmin, and kallikrein. It is used in clinical settings to reduce blood loss and the need for transfusion during surgery.

What are the main uses of Aprotinin (CAS: 9004-04-0)?

Aprotinin is primarily used as an antifibrinolytic agent to reduce blood loss during surgery, particularly in cardiac, orthopedic, and neurosurgical procedures. It is also used to decrease the need for blood transfusions and to treat acute blood loss. However, its use has been limited due to concerns about potential adverse effects such as kidney and lung complications.

Is Aprotinin (CAS: 9004-04-0) safe?

Aprotinin is generally considered safe when used as directed. However, it has been associated with serious adverse effects including acute renal failure, pulmonary complications, and allergic reactions. It is important to follow medical guidelines and use appropriate preventive measures to minimize risks. Close monitoring is necessary during administration.

How should Aprotinin (CAS: 9004-04-0) be stored?

Aprotinin should be stored in a tightly closed container to protect it from light and moisture. It is best stored at a temperature between 2°C and 8°C (36°F to 46°F). Avoid freezing and excessive heat. The product should be kept out of reach of children and away from direct sunlight. Ensure the container is airtight to maintain its stability and efficacy.