Nesiritide | CAS No. 124584-08-3

Nesiritide

Basic Information

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CAS Number

124584-08-3

Molecular Formula

C143H244N50O42S4

Molecular Weight

3464 g/mol

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

Water Solubility

Soluble in water at 1mg/ml

SMILES

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CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCCN)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C3CCCN3C(=O)C(CO)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CNC=N4)C(=O)O)CC(C)C)CO)CO)CO)CO

InChI

InChI=1S/C143H244N50O42S4/c1-13-76(10)112-137(232)189-99(68-199)131(226)188-98(67-198)130(225)187-97(66-197)129(224)186-96(65-196)117(212)166-59-105(202)169-90(52-72(2)3)114(209)163-61-107(204)171-100(132(227)177-83(32-19-22-44-146)124(219)190-111(75(8)9)136(231)184-91(53-73(4)5)127(222)175-84(34-24-46-159-141(151)152)121(216)174-85(35-25-47-160-142(153)154)122(217)185-94(139(234)235)55-78-57-157-71-167-78)69-238-239-70-101(172-108(205)62-165-116(211)95(64-195)170-106(203)60-162-113(208)87(38-39-103(148)200)181-135(230)110(74(6)7)191-126(221)89(41-51-237-12)179-120(215)82(31-18-21-43-145)180-134(229)102-37-27-49-193(102)138(233)79(147)63-194)133(228)182-92(54-77-28-15-14-16-29-77)115(210)164-58-104(201)168-80(33-23-45-158-140(149)150)118(213)173-81(30-17-20-42-144)119(214)178-88(40-50-236-11)123(218)183-93(56-109(206)207)128(223)176-86(125(220)192-112)36-26-48-161-143(155)156/h14-16,28-29,57,71-76,79-102,110-112,194-199H,13,17-27,30-56,58-70,144-147H2,1-12H3,(H2,148,200)(H,157,167)(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,213)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,214)(H,179,215)(H,180,229)(H,181,230)(H,182,228)(H,183,218)(H,184,231)(H,185,217)(H,186,224)(H,187,225)(H,188,226)(H,189,232)(H,190,219)(H,191,221)(H,192,220)(H,206,207)(H,234,235)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-/m0/s1

InChIKey

HPNRHPKXQZSDFX-OAQDCNSJSA-N

LogP

-20.215620000000182

Topological Polar Surface Area

1512.7399999999993 Å²

Hydrogen Bond Donor/Acceptor

65 / 92

Complexity

7750

Synonyms & References

English

CHEBI:135919
AKOS024457660
124584-08-3
BNP-32 (human)
NS00014349
Brain Natriuretic Peptide-32 human, >=97% (HPLC), powder
F85459
Nesiritide
Brain natriuretic peptide (1-32) (human)
Biotinyl-BNP-32 (human), Biotinyl-Brain Natriuretic Peptide-32 (human), Biotinyl-Nesiritide
BNP-32 (human), Brain Natriuretic Peptide-32 (human), Nesiritide
NESIRITIDE
1,2-Dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane,cyclic peptide deriv.
1: PN: US6028055 SEQID: 1 claimed protein
BNP-32
Brain Natriuretic Peptide-32 human
Human brain natriuretic factor-32
Human brain natriuretic peptide-32
L-Histidine,L-seryl-L-prolyl-L-lysyl-L-methionyl-L-valyl-L-glutaminylg
Natriureticfactor-32 (human brain clone lhBNP57)
Natriuretic peptide type-B
BNP HUMAN
BNP-32 (HUMAN)
BNP (1-32), HUMAN
Nesiritide (BNP-32)
Nesiritide [USAN:INN]
BRAIN NATRIURETIC PEPTIDE, HUMAN
BRAIN NATRIURETIC PEPTIDE-32 (HUMAN)
BRAIN NATRIURETIC PEPTIDE (1-32), HUMAN
BRAIN(B-TYPE) NATRIURETIC PEPTIDE-32 (HUMAN)

MDL Number

MFCD00133149

FAQ

What are the physical and chemical properties of Nesiritide (CAS: 124584-08-3)?

Nesiritide (CAS: 124584-08-3) is a synthetic form of brain natriuretic peptide (BNP). It is a crystalline compound with a molecular weight of approximately 13,487 Da. Nesiritide is highly soluble in water and slightly soluble in ethanol. It is relatively stable under normal storage conditions but may degrade when exposed to heat, light, and air. Proper storage in a cool, dry place is recommended to preserve its efficacy.

How is Nesiritide (CAS: 124584-08-3) typically synthesized?

Nesiritide (CAS: 124584-08-3) is synthesized through solid-phase peptide synthesis. The process involves sequential coupling of protected amino acids to a solid support. Commonly used protecting groups include Boc (tert-butyloxycarbonyl) and Fmoc (9-fluorenylmethoxycarbonyl). The final product is cleaved from the solid support and purified using techniques such as HPLC. The overall yield is typically around 50-70%, depending on the purity and quality of intermediates.

What industries use Nesiritide (CAS: 124584-08-3)?

Nesiritide (CAS: 124584-08-3) is primarily used in the pharmaceutical industry for the treatment of acute decompensated heart failure. It is also of interest in research for its potential applications in the diagnosis and management of various cardiac conditions. Additionally, it has applications in biosensors and medical devices, although its use in these areas is more limited compared to its pharmaceutical applications.

What precautions should be taken when handling Nesiritide (CAS: 124584-08-3)?

When handling Nesiritide (CAS: 124584-08-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves and lab coat. Ensure the work area is well-ventilated, ideally using a fume hood, to minimize exposure to the substance. Spills should be cleaned up immediately using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information and emergency procedures.