Abaloparatide | CAS No. 247062-33-5

Abaloparatide

Basic Information

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CAS Number

247062-33-5

Molecular Formula

C174H300N56O49

Molecular Weight

3960.59 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

SMILES

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O=C([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCC(=O)O)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCC(=O)O)NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(=N)N)NC([C@H](CC(C)C)NC([C@H](CC(=O)O)NC([C@H](CCC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CO)NC([C@H](CCCCN)NC(CNC([C@H](CCCCN)NC([C@H](CC(=O)O)NC([C@H](CC1=CN=CN1)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCC(N)=O)NC([C@H](CC1=CN=CN1)NC([C@H](CCC(=O)O)NC([C@H](CO)NC([C@H](C(C)C)NC([C@H](C)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(NC(C)(C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)C)=O)[C@@H](C)O)=O)CC1=CN=CN1)=O)CC(C)C)=O)CCCCN)=O)=O)CC(C)C

InChI

1S/C174H300N56O49/c1-26-93(20)136(228-165(274)126(80-232)224-141(250)101(39-28-32-56-176)200-129(236)78-195-140(249)100(38-27-31-55-175)201-161(270)123(73-133(243)244)223-160(269)121(71-98-76-190-82-197-98)220-158(267)118(68-90(14)15)216-155(264)114(64-86(6)7)213-148(257)107(45-50-127(180)234)207-159(268)120(70-97-75-189-81-196-97)219-151(260)111(49-54-132(241)242)209-164(273)125(79-231)225-167(276)135(92(18)19)227-139(248)94(21)179)168(277)210-108(46-51-128(181)235)149(258)222-124(74-134(245)246)162(271)217-112(62-84(2)3)152(261)205-105(44-37-61-194-173(187)188)143(252)203-103(42-35-59-192-171(183)184)142(251)204-104(43-36-60-193-172(185)186)144(253)206-110(48-53-131(239)240)150(259)214-115(65-87(8)9)154(263)215-113(63-85(4)5)153(262)208-109(47-52-130(237)238)147(256)202-102(40-29-33-57-177)145(254)211-116(66-88(10)11)156(265)218-119(69-91(16)17)166(275)230-174(24,25)170(279)226-106(41-30-34-58-178)146(255)212-117(67-89(12)13)157(266)221-122(72-99-77-191-83-198-99)163(272)229-137(96(23)233)169(278)199-95(22)138(182)247/h75-77,81-96,100-126,135-137,231-233H,26-74,78-80,175-179H2,1-25H3,(H2,180,234)(H2,181,235)(H2,182,247)(H,189,196)(H,190,197)(H,191,198)(H,195,249)(H,199,278)(H,200,236)(H,201,270)(H,202,256)(H,203,252)(H,204,251)(H,205,261)(H,206,253)(H,207,268)(H,208,262)(H,209,273)(H,210,277)(H,211,254)(H,212,255)(H,213,257)(H,214,259)(H,215,263)(H,216,264)(H,217,271)(H,218,265)(H,219,260)(H,220,267)(H,221,266)(H,222,258)(H,223,269)(H,224,250)(H,225,276)(H,226,279)(H,227,248)(H,228,274)(H,229,272)(H,230,275)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,135-,136-,137-/m0/s1

InChIKey

BVISQZFBLRSESR-XSCWXTNMSA-N

LogP

-15.407090000000265

Topological Polar Surface Area

1738.5999999999974 Å²

Hydrogen Bond Donor/Acceptor

72 / 105

Complexity

9310

Synonyms & References

English

Abaloparatide
Abaloparatide [USAN:INN]
Tymlos
Abaloparatide-SC
BA058
BA 058
BIM 44058
L-Alanyl-L-valyl-L-seryl-L-alpha-glutamyl-L-histidyl-L-glutaminyl-L-leucyl-L-leucyl-L-histidyl-L-alpha-aspartyl-L-lysylglycyl-L-lysyl-L-seryl-L-isoleucyl-L-glutaminyl-L-alpha-aspartyl-L-leucyl-L-arginyl-L-arginyl-L-arginyl-L-alpha-glutamyl-L-leucyl-L-leucyl-L-alpha-glutamyl-L-lysyl-L-leucyl-L-leucyl-2-methylalanyl-L-lysyl-L-leucyl-L-histidyl-L-threonyl-L-alaninamide

FAQ

What are the physical and chemical properties of Abaloparatide (CAS: 247062-33-5)?

Abaloparatide is a cyclic pentapeptide with a molecular weight of approximately 760 Da. It is poorly soluble in water but soluble in acidic and basic aqueous solutions. This compound is stable under normal storage conditions but exhibits limited reactivity with reducing agents and heavy metals. Abaloparatide has a crystalline form and is typically stored at 2°C to 8°C to maintain its stability.

How is Abaloparatide (CAS: 247062-33-5) typically synthesized?

Abaloparatide is synthesized via solid-phase peptide synthesis (SPPS) using Fmoc chemistry. The synthesis involves coupling each amino acid step-by-step, followed by deprotection of the Fmoc group and cleavage from the resin. The final product is purified by RP-HPLC to ensure high selectivity and yield. Commonly used reagents include HBTU, DiPEA, and TFA for cleavage.

What industries use Abaloparatide (CAS: 247062-33-5)?

Abaloparatide is primarily used in the pharmaceutical industry for treating osteoporosis. It is also of interest in research for its potential applications in bone density enhancement and osteoporosis prevention. Although it has not been widely adopted in other industries like polymers or semiconductors, its unique peptide structure makes it a valuable compound for studying bone biology and related therapeutic areas.

What precautions should be taken when handling Abaloparatide (CAS: 247062-33-5)?

When handling Abaloparatide, appropriate personal protective equipment (PPE) such as gloves and lab coats should be worn to prevent skin contact. Work should be conducted in a well-ventilated hood to minimize inhalation risk. Spills should be immediately cleaned up using absorbent materials and disposed of according to local regulations. For more detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).