Cas no 473-98-3 (Betulin)
Betulin Chemical and Physical Properties
Names and Identifiers
-
- Betulin
- Lup-20(29)-ene-3b,28-diol
- (1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,1 1a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-...
- (1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
- BETULIN(AS)
- BETULIN(P) - [Discontinued]
- BETULIN(RG)
- BETULIN(RG) PrintBack
- BETULINIC ACID(SH)
- Trochol
- betula camphor
- BETULINOL
- BETULOL
- Lup-20(29)-ene-3β,28-diol
- Betulinic alcohol
- 20(29)-Lupene-3
- [ "20(29)-Lupene-3", "28-diol" ]
- Betuline
- C30H50O2
- 6W70HN7X7O
- (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,
- Oprea1_601334
- 3aH-Cyclopenta[a]chrysene, lup-20(29)-ene-3,28-diol deriv.
- Lup-20(29)-ene-3.beta.,28-diol
- AI3-62999;Trochol
- BCP28193
- 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
- NSC692218
- FVWJYYTZTCVBKE-UHFFFAOYSA-N
- AKOS040894266
- SCHEMBL17749655
- 3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
- NCI60_004094
- Lup-20(29)-ene-3,28-diol
- Lup-20(29)-ene-3, (3.beta.)-
- Lup-20(30)-ene-3.beta.,28-diol
- NSC4644
- Lup-20(30)-ene-3,28-diol
- ConMedNP.2815
- 3-epi-Betulin
- (+)-3-epi-Betulin
-
- MDL： MFCD00016802
- Inchi： 1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
- InChI Key： FVWJYYTZTCVBKE-ROUWMTJPSA-N
- SMILES： O([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]2([H])[C@@]3([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])O[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H]
Computed Properties
- Exact Mass: 442.38100
- Monoisotopic Mass: 442.381080833 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 2
- Complexity: 786
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 442.7
- Surface Charge: 0
- XLogP3: 8.3
- Topological Polar Surface Area: 40.5
Experimental Properties
- Color/Form: Powder
- Density: 0.9882 (rough estimate)
- Melting Point: 251.0 to 255.0 deg-C
- Boiling Point: 522.2°C at 760 mmHg
- Refractive Index: 1.5045 (estimate)
- PSA: 40.46000
- LogP: 6.99720
- Solubility: Not determined
- Merck: 1189
- Specific Rotation: +17.0 to +21.0° (c=2, Pyridine)
Betulin Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H371
- Warning Statement： P260
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 20/21/22-68/20/21/22
- Safety Instruction： S36/37-S36-S26
- RTECS：OK5755000
-
Hazardous Material Identification：
- Safety Term：S26;S36
- Risk Phrases：R36/37/38
- Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
Betulin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | B9757-1G |
Betulin |
473-98-3 | 1g |
￥2358.32 | 2023-11-11 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | B9757-5G |
Betulin |
473-98-3 | 5g |
￥3333.73 | 2023-11-11 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 92648-50MG |
Betulin |
473-98-3 | 50mg |
￥2177.05 | 2023-10-20 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-AX013-25g |
Betulin |
473-98-3 | 95% | 25g |
￥496.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-AX013-5g |
Betulin |
473-98-3 | 95% | 5g |
￥135.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-AX013-1g |
Betulin |
473-98-3 | 95% | 1g |
￥50.0 | 2022-05-30 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | PHL89581-100MG |
Betulin |
473-98-3 | 100mg |
￥2573.9 | 2024-12-24 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | B0803-100MG |
Betulinol |
473-98-3 | >97.0%(GC) | 100mg |
￥420.00 | 2024-04-16 | |
| TRC | B330240-1g |
Betulin |
473-98-3 | 1g |
$ 127.00 | 2023-04-18 | ||
| TRC | B330240-5g |
Betulin |
473-98-3 | 5g |
$ 211.00 | 2023-04-18 |
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Betulin Related Literature
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Ekaterina N. Kolobova,Ekaterina G. Pakrieva,Sónia A. C. Carabineiro,Nina Bogdanchikova,Andrey N. Kharlanov,Sergey O. Kazantsev,Jarl Hemming,P?ivi M?ki-Arvela,Alexey N. Pestryakov,Dmitry Yu. Murzin Green Chem. 2019 21 3370
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Anna K. Ressmann,Thomas Kremsmayr,Peter Gaertner,Ronald Zirbs,Katharina Bica Green Chem. 2017 19 1014
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Daria Niewolik,Katarzyna Krukiewicz,Barbara Bednarczyk-Cwynar,Piotr Ruszkowski,Katarzyna Jaszcz RSC Adv. 2019 9 20892
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Anna K. Ressmann,Katharina Strassl,Peter Gaertner,Bin Zhao,Lasse Greiner,Katharina Bica Green Chem. 2012 14 940
-
Rui Ferreira,Helga Garcia,Andreia F. Sousa,Carmen S. R. Freire,Armando J. D. Silvestre,Werner Kunz,Luís Paulo N. Rebelo,Cristina Silva Pereira RSC Adv. 2013 3 21285
Additional information on Betulin
Professional Introduction to Compound with CAS No. 473-98-3 and Product Name: Betulin
The compound with the CAS number 473-98-3 is a naturally occurring triterpenoid, widely recognized for its biological activities and therapeutic potential. This compound is primarily derived from the bark of the white birch tree (*Betula pendula*), where it is synthesized as an intermediate in the biosynthesis of betulinic acid. The product name Betulin refers to this triterpenoid, which has garnered significant attention in the field of pharmaceutical research due to its diverse pharmacological properties.
Betulin, with its molecular formula C??H??O?, is a lupane-type triterpenoid that serves as a precursor for several bioactive derivatives. Its structural framework, characterized by a tetracyclic triterpenoid skeleton, contributes to its remarkable stability and biological efficacy. Over the past decade, advancements in chemical synthesis and biotechnological methods have enhanced the accessibility of Betulin, facilitating its exploration in various therapeutic applications.
Recent studies have highlighted the anti-inflammatory, antioxidant, and anticancer properties of Betulin. One of the most compelling areas of research has been its role in cancer therapy. Triterpenoids, including Betulin, have been shown to induce apoptosis in cancer cells by modulating key signaling pathways such as the PI3K/Akt and MAPK pathways. Furthermore, Betulin has demonstrated the ability to inhibit the growth of multidrug-resistant cancer cells, making it a promising candidate for combination therapies with conventional chemotherapeutic agents.
The anti-inflammatory potential of Betulin has also been extensively studied. Chronic inflammation is a hallmark of numerous diseases, including rheumatoid arthritis and inflammatory bowel disease. Preclinical studies have shown that Betulin can suppress pro-inflammatory cytokine production by inhibiting nuclear factor kappa B (NF-κB) activation. This mechanism not only reduces inflammation but also prevents further tissue damage associated with chronic inflammatory conditions.
In addition to its anti-inflammatory and anticancer effects, Betulin exhibits potent antioxidant activity. Oxidative stress plays a crucial role in the pathogenesis of various diseases, including neurodegenerative disorders and cardiovascular diseases. By scavenging reactive oxygen species (ROS) and enhancing endogenous antioxidant defenses, Betulin helps mitigate oxidative damage and protect cells from oxidative stress-induced damage.
The biosynthetic pathway of Betulin in birch trees has also been a subject of interest. Recent research has elucidated the enzymes involved in betulin biosynthesis, providing insights into how this triterpenoid can be optimized for industrial-scale production. Biotechnological approaches, such as metabolic engineering of plant cell cultures and microbial fermentation, are being explored to enhance the yield of Betulin, making it more cost-effective for pharmaceutical applications.
The pharmacokinetic profile of Betulin is another critical aspect that has been investigated. Studies have shown that oral administration of Betulin results in moderate bioavailability due to its poor solubility in water. To address this limitation, novel drug delivery systems such as nanocarriers and lipid-based formulations are being developed to enhance the absorption and distribution of Betulin in vivo.
The safety profile of Betulin has also been evaluated through preclinical studies. Acute toxicity studies have demonstrated that Betulin is well-tolerated at high doses, with minimal side effects observed. Chronic toxicity studies are ongoing to further assess its long-term safety for therapeutic use. These studies are crucial for ensuring that Betulin can be safely translated from experimental research to clinical applications.
Future directions in Betulin research include exploring its potential in treating neurodegenerative diseases such as Alzheimer's and Parkinson's disease. Preliminary studies suggest that Betulin can cross the blood-brain barrier and protect neurons from oxidative damage and inflammation associated with these conditions. Additionally, investigating its antimicrobial properties could open new avenues for treating drug-resistant infections.
In conclusion, Betulin, derived from the compound with CAS no. 473-98-3, is a versatile triterpenoid with significant therapeutic potential across multiple disease areas. Its anti-inflammatory, anticancer, antioxidant properties make it an attractive candidate for developing novel therapeutics. With ongoing research focusing on optimizing its production, improving bioavailability, and expanding its clinical applications, Betulin is poised to play a crucial role in future medical advancements.
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