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MedKoo Cat#: 596061 | Name: PBB3

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PBB3 is a tau-specific PET tracer.

Chemical Structure

PBB3
PBB3
CAS#1565796-97-5

Theoretical Analysis

MedKoo Cat#: 596061

Name: PBB3

CAS#: 1565796-97-5

Chemical Formula: C17H15N3OS

Exact Mass: 309.0936

Molecular Weight: 309.38

Elemental Analysis: C, 66.00; H, 4.89; N, 13.58; O, 5.17; S, 10.36

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
PBB3; J3.303.052E; PBB-3; PBB 3;
IUPAC/Chemical Name
2-((1E,3E)-4-(6-(methylamino)pyridin-3-yl)buta-1,3-dien-1-yl)benzo[d]thiazol-6-ol
InChi Key
LBCRWMJTAFCLCL-ZUVMSYQZSA-N
InChi Code
InChI=1S/C17H15N3OS/c1-18-16-9-6-12(11-19-16)4-2-3-5-17-20-14-8-7-13(21)10-15(14)22-17/h2-11,21H,1H3,(H,18,19)/b4-2+,5-3+
SMILES Code
OC1=CC=C2N=C(/C=C/C=C/C3=CN=C(NC)C=C3)SC2=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 309.38 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Chiotis K, Stenkrona P, Almkvist O, Stepanov V, Ferreira D, Arakawa R, Takano A, Westman E, Varrone A, Okamura N, Shimada H, Higuchi M, Halldin C, Nordberg A. Dual tracer tau PET imaging reveals different molecular targets for (11)C-THK5351 and (11)C-PBB3 in the Alzheimer brain. Eur J Nucl Med Mol Imaging. 2018 May 12. doi: 10.1007/s00259-018-4012-5. [Epub ahead of print] PubMed PMID: 29752516. 2: Murugan NA, Nordberg A, Ågren H. Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling. ACS Chem Neurosci. 2018 May 2. doi: 10.1021/acschemneuro.8b00093. [Epub ahead of print] PubMed PMID: 29630333. 3: Ni R, Ji B, Ono M, Sahara N, Zhang MR, Aoki I, Nordberg A, Suhara T, Higuchi M. Comparative in-vitro and in-vivo quantifications of pathological tau deposits and their association with neurodegeneration in tauopathy mouse models. J Nucl Med. 2018 Feb 1. pii: jnumed.117.201632. doi: 10.2967/jnumed.117.201632. [Epub ahead of print] PubMed PMID: 29419480. 4: Ishikawa A, Tokunaga M, Maeda J, Minamihisamatsu T, Shimojo M, Takuwa H, Ono M, Ni R, Hirano S, Kuwabara S, Ji B, Zhang MR, Aoki I, Suhara T, Higuchi M, Sahara N. In Vivo Visualization of Tau Accumulation, Microglial Activation, and Brain Atrophy in a Mouse Model of Tauopathy rTg4510. J Alzheimers Dis. 2018;61(3):1037-1052. doi: 10.3233/JAD-170509. PubMed PMID: 29332041. 5: Alemao E, Guo Z, Frits ML, Iannaccone CK, Shadick NA, Weinblatt ME. Association of anti-cyclic citrullinated protein antibodies, erosions, and rheumatoid factor with disease activity and work productivity: A patient registry study. Semin Arthritis Rheum. 2018 Apr;47(5):630-638. doi: 10.1016/j.semarthrit.2017.10.009. Epub 2017 Oct 13. PubMed PMID: 29241640. 6: Lemoine L, Gillberg PG, Svedberg M, Stepanov V, Jia Z, Huang J, Nag S, Tian H, Ghetti B, Okamura N, Higuchi M, Halldin C, Nordberg A. Comparative binding properties of the tau PET tracers THK5117, THK5351, PBB3, and T807 in postmortem Alzheimer brains. Alzheimers Res Ther. 2017 Dec 11;9(1):96. doi: 10.1186/s13195-017-0325-z. PubMed PMID: 29229003; PubMed Central PMCID: PMC5725799. 7: Coakeley S, Strafella AP. Imaging tau pathology in Parkinsonisms. NPJ Parkinsons Dis. 2017 Jun 29;3:22. doi: 10.1038/s41531-017-0023-3. eCollection 2017. Review. PubMed PMID: 28685158; PubMed Central PMCID: PMC5491530. 8: Perez-Soriano A, Arena JE, Dinelle K, Miao Q, McKenzie J, Neilson N, Puschmann A, Schaffer P, Shinotoh H, Smith-Forrester J, Shahinfard E, Vafai N, Wile D, Wszolek Z, Higuchi M, Sossi V, Stoessl AJ. PBB3 imaging in Parkinsonian disorders: Evidence for binding to tau and other proteins. Mov Disord. 2017 Jul;32(7):1016-1024. doi: 10.1002/mds.27029. Epub 2017 Jun 1. PubMed PMID: 28568506. 9: Koga S, Ono M, Sahara N, Higuchi M, Dickson DW. Fluorescence and autoradiographic evaluation of tau PET ligand PBB3 to α-synuclein pathology. Mov Disord. 2017 Jun;32(6):884-892. doi: 10.1002/mds.27013. Epub 2017 Apr 25. PubMed PMID: 28440890; PubMed Central PMCID: PMC5577807. 10: Saint-Aubert L, Lemoine L, Chiotis K, Leuzy A, Rodriguez-Vieitez E, Nordberg A. Tau PET imaging: present and future directions. Mol Neurodegener. 2017 Feb 20;12(1):19. doi: 10.1186/s13024-017-0162-3. Review. PubMed PMID: 28219440; PubMed Central PMCID: PMC5319037. 11: Shimada H, Kitamura S, Shinotoh H, Endo H, Niwa F, Hirano S, Kimura Y, Zhang MR, Kuwabara S, Suhara T, Higuchi M. Association between Aβ and tau accumulations and their influence on clinical features in aging and Alzheimer's disease spectrum brains: A [(11)C]PBB3-PET study. Alzheimers Dement (Amst). 2016 Dec 22;6:11-20. doi: 10.1016/j.dadm.2016.12.009. eCollection 2017. PubMed PMID: 28138509; PubMed Central PMCID: PMC5257028. 12: Ono M, Sahara N, Kumata K, Ji B, Ni R, Koga S, Dickson DW, Trojanowski JQ, Lee VM, Yoshida M, Hozumi I, Yoshiyama Y, van Swieten JC, Nordberg A, Suhara T, Zhang MR, Higuchi M. Distinct binding of PET ligands PBB3 and AV-1451 to tau fibril strains in neurodegenerative tauopathies. Brain. 2017 Mar 1;140(3):764-780. doi: 10.1093/brain/aww339. PubMed PMID: 28087578; PubMed Central PMCID: PMC5837223. 13: Jeraq M, Cote DJ, Smith TR. Venous Thromboembolism in Brain Tumor Patients. Adv Exp Med Biol. 2017;906:215-228. Review. PubMed PMID: 27628002. 14: Furumoto S, Tago T, Harada R, Kudo Y, Okamura N. 18F-Labeled 2-Arylquinoline Derivatives for Tau Imaging: Chemical, Radiochemical, Biological and Clinical Features. Curr Alzheimer Res. 2017;14(2):178-185. Review. PubMed PMID: 27334944. 15: Kudo Y, Furumoto S, Harada R, Okamura N. [Tau imaging]. Nihon Rinsho. 2016 Mar;74(3):404-9. Japanese. PubMed PMID: 27025077. 16: Kimura Y, Endo H, Ichise M, Shimada H, Seki C, Ikoma Y, Shinotoh H, Yamada M, Higuchi M, Zhang MR, Suhara T. A new method to quantify tau pathologies with (11)C-PBB3 PET using reference tissue voxels extracted from brain cortical gray matter. EJNMMI Res. 2016 Dec;6(1):24. doi: 10.1186/s13550-016-0182-y. Epub 2016 Mar 12. PubMed PMID: 26969002; PubMed Central PMCID: PMC4788664. 17: Cote DJ, Smith TR. Venous thromboembolism in brain tumor patients. J Clin Neurosci. 2016 Mar;25:13-8. doi: 10.1016/j.jocn.2015.05.053. Epub 2015 Nov 17. Review. PubMed PMID: 26597608. 18: Dani M, Brooks DJ, Edison P. Tau imaging in neurodegenerative diseases. Eur J Nucl Med Mol Imaging. 2016 Jun;43(6):1139-50. doi: 10.1007/s00259-015-3231-2. Epub 2015 Nov 16. Review. PubMed PMID: 26572762; PubMed Central PMCID: PMC4844651. 19: Hashimoto H, Kawamura K, Takei M, Igarashi N, Fujishiro T, Shiomi S, Watanabe R, Muto M, Furutsuka K, Ito T, Yamasaki T, Yui J, Nemoto K, Kimura Y, Higuchi M, Zhang MR. Identification of a major radiometabolite of [11C]PBB3. Nucl Med Biol. 2015 Dec;42(12):905-10. doi: 10.1016/j.nucmedbio.2015.08.006. Epub 2015 Sep 2. PubMed PMID: 26420569. 20: Wang M, Gao M, Xu Z, Zheng QH. Synthesis of a PET tau tracer [(11)C]PBB3 for imaging of Alzheimer's disease. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4587-92. doi: 10.1016/j.bmcl.2015.08.053. Epub 2015 Aug 20. PubMed PMID: 26323870.