Pituitary adenylate cyclase-activating peptide

Basic Information

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CAS Number

137061-48-4

Molecular Formula

C203H331N63O53S1

Molecular Weight

4534.26 g/mol

Basic Physical Properties

Water Solubility

Soluble to 0.90 mg/ml in water

SMILES

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[H]/N=C(/NCCC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N)CCCCN)=O)CC(=O)N)=O)CCCCN)=O)C(C)C)=O)CCCN/C(=N/[H])/N)=O)CCC(=O)N)=O)CCCCN)=O)CC1=CC=C(O)C=C1)=O)NC([C@@H](NC(CNC([C@@H](NC([C@H](C(C)C)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C(C)C)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@H](O)C)NC([C@@H](NC([C@H]([C@H](CC)C)NC(CNC([C@@H](NC([C@@H](NC([C@H](CC1N=CNC=1)N)=O)CO)=O)CC(=O)O)=O)=O)=O)CC1=CC=CC=C1)=O)=O)CC(=O)O)=O)CO)=O)CC1=CC=C(O)C=C1)=O)CO)=O)CCCN/C(=N/[H])/N)=O)CC1=CC=C(O)C=C1)=O)CCCN/C(=N/[H])/N)=O)CCCCN)=O)CCC(=O)N)=O)CCSC)=O)C)=O)=O)CCCCN)=O)CCCCN)=O)CC1=CC=C(O)C=C1)=O)CC(C)C)=O)C)=O)C)=O)=O)CC(C)C)=O)=O)CCCCN)=O)\N

InChI

InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1

InChIKey

UFTCZKMBJOPXDM-XXFCQBPRSA-N

LogP

-19.41022000000041

Topological Polar Surface Area

1969.939999999997 Å²

Hydrogen Bond Donor/Acceptor

88 / 116

Synonyms & References

English

PITUITARY ADENYLATE CYCLASE-ACTIVATING P EPTI DE (1-27) PACAP (1-27
PITUITARY ADENYLATE CYCLASE ACTIVATING POLYPEPTIDE-3
pituitary adenylate cyclase activating polypeptide-38
PITUITARY ADENYLATE CYCLASE ACTIVATING POLYPEPTIDE 38 (OVINE, RAT)
PITUITARY ADENYLATE CYCLASE-ACTIVATING PEPTIDE
TYR-LYS-GLN-ARG-VAL-LYS-ASN-LYS-NH2: YKQRVKNK-NH2
Pacap
Peptide pacap
Pituitary adenylatecyclase-activating peptide
PACAP(6-38), human, ovine, rat
Pituitary adenylate cyclase activating polypeptide-38(PACAP-38)
ADENYLATE CYCLASE ACTIVATING PEPTIDE-38
PACAP 1-38
Pituitary adenylate cyclase activating
Pituitary Adenylate Cyclase Activating Polypeptide 38 (Human)
Pituitary adenylate cyclase activating polypeptide-38
Peptide PACAP
PACAP
PACAP (1-38), human, ovine, rat

MDL Number

MFCD00081800

FAQ

What regulatory guidelines apply to Pituitary adenylate cyclase-activating peptide (CAS: 137061-48-4)?

Pituitary adenylate cyclase-activating peptide (PACAP, CAS: 137061-48-4) is subject to various regulatory guidelines depending on its intended use. In the EU, it falls under REACH regulations for chemical safety and environmental protection. In the USA, it is regulated by the FDA for pharmaceuticals and EPA for environmental releases. This peptide should be handled according to GHS classification for safe transport and storage.

Are there alternatives to Pituitary adenylate cyclase-activating peptide (CAS: 137061-48-4) in synthesis?

For synthesis, alternatives to Pituitary adenylate cyclase-activating peptide (PACAP, CAS: 137061-48-4) include analogs such as PACAP-38 and PACAP-27. Isomers like PACAP-27 can be used as substitutes. Common alternative reagents like N-Methyl-L-erythrose-2-carboxylic acid and L-lysine can also be considered in synthesis processes to achieve similar biological activities.

What is the market or research trend for Pituitary adenylate cyclase-activating peptide (CAS: 137061-48-4)?

The market for Pituitary adenylate cyclase-activating peptide (PACAP, CAS: 137061-48-4) is growing due to its potential in neuroprotection and neurotrophic effects. Research trends are focusing on its application in neurodegenerative diseases and pain management. Market analysis indicates increasing demand for this peptide in pharmaceutical and academic research, driven by positive clinical trials and emerging applications.

How should waste containing Pituitary adenylate cyclase-activating peptide (CAS: 137061-48-4) be handled?

Waste containing Pituitary adenylate cyclase-activating peptide (PACAP, CAS: 137061-48-4) should be collected in a sealed container and stored at low temperature. It should be incinerated or disposed of through a professional waste disposal service. Environmental protection precautions include minimizing exposure and ensuring proper labeling. Disposal should comply with local regulations to avoid environmental contamination.