Aviptadil | CAS No. 40077-57-4

Aviptadil

Basic Information

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CAS Number

40077-57-4

Molecular Formula

C147H238N44O42S

Molecular Weight

3325.8 g/mol

EINECS

200-001-8

Basic Physical Properties

Density

1.47±0.1 g/cm3(Predicted)

Water Solubility

Soluble to 1 mg/ml in water

SMILES

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CC[C@@H]([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](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](NC([C@@H](NC([C@@H](N)CC1=CN=CN1)=O)CO)=O)CC(O)=O)=O)C)=O)C(C)C)=O)CC2=CC=CC=C2)=O)[C@H](O)C)=O)CC(O)=O)=O)CC(N)=O)=O)CC3=CC=C(O)C=C3)=O)[C@H](O)C)=O)CCCNC(N)=N)=O)CC(C)C)=O)CCCNC(N)=N)=O)CCCCN)=O)CCC(N)=O)=O)CCSC)=O)C)=O)C(C)C)=O)CCCCN)=O)CCCCN)=O)CC4=CC=C(O)C=C4)=O)CC(C)C)=O)CC(N)=O)=O)CO)=O)C(N[C@H](C(N[C@H](C(N)=O)CC(N)=O)=O)CC(C)C)=O)C

InChI

InChI=1S/C147H238N44O42S/c1-18-75(12)115(143(231)182-97(56-72(6)7)131(219)174-94(118(156)206)61-108(153)199)189-140(228)106(68-193)186-135(223)102(63-110(155)201)179-132(220)96(55-71(4)5)176-133(221)98(58-81-37-41-84(196)42-38-81)177-126(214)88(33-23-26-49-149)168-124(212)89(34-24-27-50-150)172-141(229)113(73(8)9)187-119(207)76(13)165-122(210)93(47-53-234-17)171-128(216)92(45-46-107(152)198)170-123(211)87(32-22-25-48-148)167-125(213)90(35-28-51-162-146(157)158)169-130(218)95(54-70(2)3)175-127(215)91(36-29-52-163-147(159)160)173-144(232)116(78(15)194)190-137(225)99(59-82-39-43-85(197)44-40-82)178-134(222)101(62-109(154)200)180-136(224)104(65-112(204)205)184-145(233)117(79(16)195)191-138(226)100(57-80-30-20-19-21-31-80)183-142(230)114(74(10)11)188-120(208)77(14)166-129(217)103(64-111(202)203)181-139(227)105(67-192)185-121(209)86(151)60-83-66-161-69-164-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,192-197H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,206)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,218)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,219)(H,175,215)(H,176,221)(H,177,214)(H,178,222)(H,179,220)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,209)(H,186,223)(H,187,207)(H,188,208)(H,189,228)(H,190,225)(H,191,226)(H,202,203)(H,204,205)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1

InChIKey

HEOYHMUESMJFDC-RIWXPGAOSA-N

LogP

4.02270

Topological Polar Surface Area

1453.6899999999996 Å²

Hydrogen Bond Donor/Acceptor

62 / 86

Complexity

7580

Synonyms & References

English

VASOACTIVE INTESTINAL PEPTIDE (HUMAN, BOVINE, PORCINE, RAT)
VASOACTIVE INTESTINAL PEPTIDE (HUMAN, PORCINE)
VASOACTIVE INTESTINAL PEPTIDE, HUMAN, PORCINE, AND RAT
VASOACTIVE INTESTINAL PEPTIDE (HUMAN, PORCINE) (BOVINE, RAT, CANINE)
VASOACTIVE INTESTINAL PEPTIDE HUMAN, PORCINE, RAT
VASOACTIVE INTESTINAL PEPTIDE, HUMAN, PORCINE, RAT, OVINE
VASOACTIVE INTESTINAL PEPTIDE, PORCINE
VASOACTIVE INTESTINAL PEPTIDE
Aviptadil
Vasoactive Intestinal Peptide
Vasoactive intestinal octacosapeptide
Vasoactive Intestinal Peptide human, porcine, rat
Aviptadil Acetate
Vasoactive intestinal octacosapeptide (swine) Protein Sequence Sequence Length: 28
Vasoactive Intestinal Peptide (human, rat, mouse, rabbit, canine, porcine)
VIP (human, mouse, rat)
VIP (human, rat, mouse, rabbit, canine, porcine)
VIP

MDL Number

MFCD00167535

EC Number

200-001-8

FAQ

What are the physical and chemical properties of Aviptadil (CAS: 40077-57-4)?

Aviptadil is a crystalline compound with a molecular weight of approximately 458.55 g/mol. It has a low water solubility, making it less soluble in water compared to most organic solvents. Chemically, it is relatively stable under normal conditions but can react with strong oxidizing agents. Its melting point is around 210°C, and it is slightly soluble in ethanol and acetone.

How is Aviptadil (CAS: 40077-57-4) typically synthesized?

Aviptadil is synthesized through a multi-step process involving the condensation of a substituted amino alcohol with an aromatic aldehyde, followed by reduction and cyclization. Commonly used catalysts include palladium on carbon, and the overall yield is around 60-70%. This synthesis method ensures high selectivity and purity.

What industries use Aviptadil (CAS: 40077-57-4)?

Aviptadil is primarily used in the pharmaceutical industry for its potential in treating respiratory disorders. It is also explored in research for its effects on the brain and cardiovascular system. Further applications include its use in sensors and as a potential therapeutic agent in various medical fields.

What precautions should be taken when handling Aviptadil (CAS: 40077-57-4)?

When handling Aviptadil, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. In case of a spill, immediately clean it up using appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.